data_2js3_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 2js3 _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 ' 17' ' ' LEU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 22' ' ' MET . 2.6 mm? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.518 0.199 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -59.92 -60.75 3.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HZ ' ' HA ' ' B' ' 27' ' ' ALA . 63.8 m-85 -85.94 62.59 7.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 49.87 -101.53 0.09 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.765 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.24 57.77 4.24 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.912 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 16.5 ttt -75.59 93.58 3.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.981 0.896 . . . . 0.0 111.461 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -172.72 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.968 -1.469 . . . . 0.0 108.291 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -148.75 -35.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.227 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -72.71 -16.19 61.67 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.912 ' HB3' ' HA ' ' A' ' 22' ' ' MET . . . -51.69 -42.3 62.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.862 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -29.69 59.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.871 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 35.8 mm-40 -68.71 -55.41 11.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.752 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.03 -44.05 87.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.799 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 HG22 ' A' ' 86' ' ' ILE . 55.0 t -68.3 -37.33 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 1.056 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 35.5 ttp-105 -67.21 -33.18 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 56.8 mttm -57.66 -48.64 78.91 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.147 0.499 . . . . 0.0 109.806 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.626 HG23 HD21 ' A' ' 37' ' ' LEU . 44.0 mt -60.04 -52.12 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.354 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.33 78.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.621 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -65.3 -46.21 81.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.489 . . . . 0.0 110.864 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.354 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.626 HD21 HG23 ' A' ' 33' ' ' ILE . 4.5 pp -65.39 -23.99 67.1 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -176.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -80.12 -56.95 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -59.98 -35.86 75.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -172.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.662 ' HB ' ' CB ' ' B' ' 57' ' ' LYS . 75.7 p -104.26 12.23 33.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -131.01 37.15 3.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.88 0.371 . . . . 0.0 111.073 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.76 123.59 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -106.34 128.5 54.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.463 0.649 . . . . 0.0 111.095 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 pt -82.69 112.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.815 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.638 -177.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.536 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 49.0 t-20 -94.73 108.85 20.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.1 128.27 39.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 79.4 m -73.22 152.69 40.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.772 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 42.8 pttt -38.0 -56.27 1.16 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.436 HD22 ' HD2' ' A' ' 79' ' ' PRO . 11.0 mp -92.38 15.02 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.0 m 63.56 11.56 5.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.507 0.323 . . . . 0.0 111.665 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.701 ' HA2' ' HB1' ' A' ' 75' ' ' ALA . . . -74.83 -10.24 83.45 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.751 -177.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . . . -152.58 132.39 13.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -136.3 134.96 38.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.867 0.365 . . . . 0.0 110.332 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.536 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 8.7 p -144.7 141.91 18.29 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.239 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.16 146.98 8.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.553 2.169 . . . . 0.0 112.162 173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -65.94 -9.2 27.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.528 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.49 -21.48 66.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.183 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 65.03 96.61 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.897 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -99.88 -43.42 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.598 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.701 171.195 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.445 ' HD1' HG11 ' A' ' 81' ' ' VAL . 8.5 p80 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.653 0.263 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB1' ' HA2' ' A' ' 60' ' ' GLY . . . -75.06 109.2 8.34 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.446 ' HA ' HG12 ' A' ' 81' ' ' VAL . 21.9 t70 -65.52 -30.55 71.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.17 -167.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.28 -23.64 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.471 . . . . 0.0 111.447 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 75.5 m -83.69 140.51 41.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.955 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 27.6 Cg_exo -63.52 0.77 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.508 2.805 . . . . 0.0 113.047 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.431 HG21 ' HA3' ' A' ' 60' ' ' GLY . 46.5 t -64.19 -30.19 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.911 0.386 . . . . 0.0 110.265 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 76' ' ' ASP . 29.1 m -57.36 -47.3 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.004 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 86' ' ' ILE . 10.6 tp -72.35 -36.77 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 110.52 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.257 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.11 -44.94 94.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.848 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -57.97 -37.49 74.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.416 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.678 HG12 ' HE1' ' B' ' 19' ' ' PHE . 75.5 mt -73.95 -50.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.628 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 1.056 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -76.88 -13.49 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -91.94 -60.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.6 p 50.42 29.27 3.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.031 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.719 -178.28 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.85 0.357 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.678 ' HE1' HG12 ' A' ' 86' ' ' ILE . 19.8 m-85 -101.89 65.9 1.02 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.201 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 61.56 -90.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.35 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' B' ' 23' ' ' THR . . . -97.59 -36.85 4.69 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.733 ' HA ' ' HB3' ' B' ' 26' ' ' ALA . 22.6 ttt 70.55 -31.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.167 0.987 . . . . 0.0 113.098 173.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.403 ' H ' ' C ' ' B' ' 21' ' ' GLY . 9.0 t -67.19 -15.07 63.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.927 0.394 . . . . 0.0 110.942 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -149.19 -49.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.28 -13.2 61.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' B' ' 22' ' ' MET . . . -60.74 -40.31 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 111.614 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HA ' ' HZ ' ' A' ' 19' ' ' PHE . . . -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.199 -171.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.03 -50.83 66.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.696 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.85 -35.69 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 26' ' ' ALA . 74.2 t -63.19 -44.85 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.21 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.092 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' B' ' 31' ' ' ARG . 57.5 tptt -63.77 -50.58 68.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.576 0.227 . . . . 0.0 110.389 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.82 -28.15 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.745 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' B' ' 83' ' ' ALA . . . -68.64 -32.83 72.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 176.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -69.4 -29.31 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.4 -24.87 47.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.317 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.634 ' HA ' ' HB3' ' B' ' 41' ' ' ALA . 82.1 mt -60.27 -44.63 95.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.542 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.72 -25.98 44.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.238 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.39 -52.46 64.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.629 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 10.0 t -152.67 -12.92 0.17 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -70.89 -32.88 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.999 -0.438 . . . . 0.0 111.067 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -85.73 129.51 37.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.564 ' HG2' ' HE3' ' B' ' 57' ' ' LYS . 15.3 pt-20 -163.65 -179.0 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 24.7 pt -99.41 136.31 31.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.937 0.398 . . . . 0.0 111.244 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 m -88.23 139.82 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -78.05 150.29 33.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.266 0.555 . . . . 0.0 111.26 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.1 170.8 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.695 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -95.82 -28.14 14.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.5 -61.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.718 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.47 68.6 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.77 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.22 -141.96 4.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.56 172.15 15.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.66 138.82 47.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 48.6 t-20 -83.86 106.58 15.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.628 ' HG2' ' HG ' ' B' ' 62' ' ' SER . 54.7 mt-30 -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.222 0.534 . . . . 0.0 111.032 -175.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.55 154.68 38.51 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 164.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.662 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -67.21 -3.43 7.75 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.462 ' HB2' ' SG ' ' B' ' 78' ' ' CYS . 5.2 mp -128.66 -96.75 0.39 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 172.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . 0.91 ' HB2' ' HB2' ' B' ' 78' ' ' CYS . 47.8 m -144.26 6.01 1.29 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 178.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . 0.473 ' HA2' HG21 ' B' ' 81' ' ' VAL . . . -63.03 -22.69 65.1 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.072 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.9 139.8 16.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.628 ' HG ' ' HG2' ' B' ' 55' ' ' GLN . 7.3 t -166.45 133.5 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.615 0.245 . . . . 0.0 110.614 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.538 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 9.1 p -176.81 149.18 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.418 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 90.6 Cg_exo -45.03 127.18 8.38 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 121.999 1.8 . . . . 0.0 111.145 169.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.525 ' HA ' ' HB2' ' B' ' 54' ' ' ASN . 30.4 p-90 -59.85 -28.35 67.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.27 -169.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.86 17.34 22.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.228 0.537 . . . . 0.0 110.721 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' B' ' 68' ' ' THR . 8.6 tt0 -111.89 113.27 25.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.466 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.474 HG21 ' H ' ' B' ' 69' ' ' GLY . 3.8 t 45.95 -83.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.793 1.237 . . . . 0.0 113.715 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.474 ' H ' HG21 ' B' ' 68' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.589 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.058 0.456 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' B' ' 59' ' ' CYS . . . -103.06 114.71 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.59 1.82 15.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -164.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.98 -2.53 37.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.075 0.464 . . . . 0.0 110.45 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.91 ' HB2' ' HB2' ' B' ' 59' ' ' CYS . 50.5 t -110.41 134.5 20.81 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.783 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.58 ' O ' HG23 ' B' ' 82' ' ' ILE . 23.2 Cg_exo -65.51 -6.21 13.16 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.269 2.646 . . . . 0.0 113.047 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.623 HG12 HD12 ' B' ' 37' ' ' LEU . 94.4 t -75.39 -29.71 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.2 0.524 . . . . 0.0 110.235 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.473 HG21 ' HA2' ' B' ' 60' ' ' GLY . 63.9 t -70.25 -38.73 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.58 HG23 ' O ' ' B' ' 79' ' ' PRO . 7.2 tp -57.24 -36.97 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.138 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -59.09 -44.23 91.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.146 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.14 -44.15 92.06 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.048 0.452 . . . . 0.0 110.323 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.08 -36.24 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.561 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.8 mt -60.54 -50.94 78.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.93 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.68 -16.96 61.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -84.57 -31.13 24.51 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.651 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.815 177.257 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.83 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.899 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.83 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HG3' ' NH1' ' A' ' 31' ' ' ARG . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 1.104 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.783 HD12 HD21 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.713 HG23 HG21 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.547 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.655 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 27.4 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.626 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.655 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.503 ' HA ' HG23 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.484 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.608 HG12 ' HB2' ' B' ' 29' ' ' ASP . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB3' HG23 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.758 ' HD2' HD12 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 1.104 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.449 ' HG2' ' HB1' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.899 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.608 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.416 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.416 ' HB3' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.733 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.733 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.713 HG21 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.476 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.611 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.123 0.487 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.466 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.508 ' HB2' HG21 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG21 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.586 HG11 HD11 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.51 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.128 0.489 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -81.89 175.31 10.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.323 -172.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' HA ' ' HE1' ' A' ' 22' ' ' MET . 75.1 m-85 -61.58 164.76 5.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.187 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 77.36 -15.4 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.924 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 19' ' ' PHE . . . -123.81 -101.12 1.46 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 171.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.553 ' HE1' ' HA ' ' A' ' 19' ' ' PHE . 11.7 ptp 50.57 -167.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.602 1.161 . . . . 0.0 113.72 173.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.536 HG23 ' H ' ' A' ' 25' ' ' THR . 15.2 t -177.87 -159.82 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.289 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.1 -25.26 61.11 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.536 ' H ' HG23 ' A' ' 23' ' ' THR . 6.5 m -58.04 -35.64 71.6 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.701 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -66.49 -22.32 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.54 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.61 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HG3' ' HE3' ' A' ' 32' ' ' LYS . 8.4 tp10 -69.49 -46.34 66.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.7 m-20 -69.6 -39.88 77.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.301 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 26' ' ' ALA . 52.6 t -65.89 -33.21 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.131 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -59.28 -46.68 87.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 173.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' HE3' ' HG3' ' A' ' 28' ' ' GLU . 85.2 mttt -53.63 -54.55 36.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.232 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.75 -34.7 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.623 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' HB3' HD21 ' A' ' 87' ' ' LEU . . . -66.93 -31.67 72.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 0.0 110.698 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.1 m -61.38 -29.09 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.431 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' B' ' 79' ' ' PRO . . . -54.46 -26.95 34.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.769 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.81 -34.0 75.15 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.77 -24.47 60.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -75.74 -38.67 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.385 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 t -142.45 -25.11 0.65 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.29 -33.39 49.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.02 -0.425 . . . . 0.0 111.008 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.462 HD12 ' SG ' ' A' ' 56' ' ' CYS . 12.7 mm -123.4 91.78 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.528 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' CD ' ' HZ2' ' B' ' 57' ' ' LYS . 11.7 pt-20 -148.2 169.48 19.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.123 0.487 . . . . 0.0 111.261 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.1 pt -96.32 121.38 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.783 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.319 -0.724 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.303 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.47 0.176 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -84.72 114.36 21.98 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -121.17 149.03 43.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.4 0.619 . . . . 0.0 111.515 -172.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.462 ' SG ' HD12 ' A' ' 42' ' ' ILE . 70.9 m -114.57 101.27 8.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.909 169.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HG2' ' HG1' ' B' ' 40' ' ' THR . 1.2 tpmt? -67.26 -16.09 64.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' B' ' 41' ' ' ALA . 10.9 mp -81.85 15.57 2.18 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.691 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -161.76 -39.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.958 0.408 . . . . 0.0 110.585 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.47 7.6 39.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.407 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.72 137.6 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -149.92 127.2 11.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.807 0.336 . . . . 0.0 110.461 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG22 ' HD2' ' A' ' 64' ' ' PRO . 4.4 p -130.05 146.26 60.68 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' HD2' HG22 ' A' ' 63' ' ' VAL . 85.6 Cg_exo -48.91 139.92 24.52 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.291 1.994 . . . . 0.0 111.71 172.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.429 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 11.5 p-90 -62.51 167.76 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -176.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 65' ' ' TRP . 10.1 tt 79.17 -43.36 0.31 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.54 0.736 . . . . 0.0 111.7 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.29 155.84 20.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -86.24 -46.83 9.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.642 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.335 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 . . . . . 0 CA--C 1.516 -0.353 0 CA-C-O 121.151 0.5 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.99 165.5 13.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.908 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -73.73 -26.47 60.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.363 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.25 -13.81 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.475 ' O ' HG22 ' A' ' 81' ' ' VAL . 30.3 p -78.09 131.97 68.24 Favored Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.57 -174.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 16.5 Cg_exo -67.9 -0.33 5.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.979 2.453 . . . . 0.0 112.371 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 36.1 t -67.34 -34.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.499 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 78' ' ' CYS . 19.5 m -59.38 -43.67 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp -75.96 -39.69 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -49.31 74.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.671 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 53.7 mtpt -54.68 -51.96 63.87 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -49.82 -39.73 39.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.645 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.4 -51.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.645 0.26 . . . . 0.0 111.695 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 34' ' ' ALA . 4.6 pp -71.35 -19.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.61 0.243 . . . . 0.0 111.632 -174.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -93.08 -39.82 10.86 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m 60.63 21.66 11.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.603 0.716 . . . . 0.0 110.055 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.787 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 121.152 0.501 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.476 ' O ' ' HB3' ' B' ' 20' ' ' GLN . 40.9 m-85 -84.46 -5.82 59.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.981 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 7.8 tp60 76.0 135.8 0.06 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.125 0.89 . . . . 0.0 109.521 -169.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.45 -91.72 1.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.03 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 1.01 ' HA ' ' HB3' ' B' ' 26' ' ' ALA . 37.1 ttm 64.81 179.21 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.848 0.459 . . . . 0.0 110.449 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.44 ' H ' ' CG ' ' B' ' 22' ' ' MET . 33.1 p 52.93 89.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.318 0.647 . . . . 0.0 111.844 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' B' ' 23' ' ' THR . 27.0 m-20 73.84 -60.67 0.52 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.964 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.1 m -61.52 -22.06 64.79 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.607 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' B' ' 22' ' ' MET . . . -55.24 -32.02 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.011 0.434 . . . . 0.0 111.368 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' B' ' 31' ' ' ARG . . . -73.17 -27.31 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.05 -50.93 52.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.447 ' O ' HG13 ' B' ' 33' ' ' ILE . 3.5 m-20 -66.59 -45.9 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.64 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.24 -36.76 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.45 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 27.7 ttm180 -58.79 -44.88 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.033 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.9 -45.59 93.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.306 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 29' ' ' ASP . 27.0 mt -62.29 -41.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.009 0.433 . . . . 0.0 110.172 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.481 ' HB3' HD23 ' B' ' 87' ' ' LEU . . . -69.78 -31.73 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.425 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -64.64 -30.76 71.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.17 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.017 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.614 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 23.9 mt -65.83 -38.15 88.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.668 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.12 -25.77 42.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' B' ' 40' ' ' THR . 29.2 mmmt -76.72 -58.48 3.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.757 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.474 ' HG1' ' HG2' ' A' ' 57' ' ' LYS . 13.5 t 179.77 37.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.558 0.694 . . . . 0.0 111.684 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.723 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -62.54 -28.62 69.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.391 0.615 . . . . 0.0 110.381 174.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.959 HD13 ' HA ' ' B' ' 56' ' ' CYS . 13.1 mt -99.37 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -103.69 148.29 26.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.499 0.666 . . . . 0.0 111.03 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.523 ' CG2' ' HB2' ' B' ' 52' ' ' ALA . 36.2 mm -87.22 114.31 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.065 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' B' ' 53' ' ' HIS . 4.9 m -89.81 106.3 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 33.7 p -101.67 140.79 35.49 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.629 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.86 140.86 29.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.3 -58.42 5.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.304 0.574 . . . . 0.0 110.972 -174.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -132.0 105.58 7.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.506 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.29 -46.68 0.29 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.785 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.4 159.65 8.87 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.712 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -92.57 153.02 19.29 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.416 ' HB2' HG21 ' B' ' 45' ' ' VAL . 93.3 m-70 -135.58 142.54 45.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.603 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.947 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 49.7 t-20 -105.18 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -108.5 100.81 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.145 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.959 ' HA ' HD13 ' B' ' 42' ' ' ILE . 58.3 m -59.26 104.23 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.474 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.543 ' HZ2' ' CD ' ' A' ' 43' ' ' GLU . 79.7 tttt -74.46 -1.06 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.184 -170.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.472 HD23 HG22 ' B' ' 80' ' ' VAL . 6.3 mp -115.72 -57.31 2.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.011 -0.431 . . . . 0.0 111.859 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 7.5 p -82.89 -5.46 59.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.79 64.16 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.833 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.41 160.11 16.14 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.707 -0.29 . . . . 0.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -124.55 129.27 50.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 0.0 110.411 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.947 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 58.8 t -100.57 130.46 25.53 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.244 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 20.8 Cg_exo -67.86 5.34 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.591 2.861 . . . . 0.0 113.563 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.589 ' H ' HG11 ' B' ' 63' ' ' VAL . 49.0 t90 75.51 147.85 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.49 0.716 . . . . 0.0 111.287 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp 63.41 24.99 14.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.227 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -152.56 148.19 27.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.772 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -59.37 -32.22 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.571 0.544 . . . . 0.0 112.231 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.749 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.27 122.61 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.506 ' HA ' HG21 ' B' ' 81' ' ' VAL . 25.1 t70 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 111.388 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -92.12 -6.49 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.834 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.518 ' O ' HG23 ' B' ' 81' ' ' VAL . 27.3 p -88.1 152.7 50.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.906 -176.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.422 ' HB2' ' HB2' ' A' ' 36' ' ' ALA . 39.7 Cg_exo -61.73 -28.81 82.52 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.84 2.36 . . . . 0.0 112.738 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.472 HG22 HD23 ' B' ' 58' ' ' LEU . 60.8 t -59.99 -46.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.549 -176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 78' ' ' CYS . 34.6 m -68.01 -36.94 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.33 -176.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.9 mm -54.68 -50.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.232 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.29 94.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -61.6 -36.33 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.605 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -73.65 -34.45 64.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.859 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.9 mt -74.95 -40.28 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' B' ' 34' ' ' ALA . 4.5 pp -71.09 -11.4 60.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.77 0.319 . . . . 0.0 111.519 -177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -81.42 66.19 6.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 0.0 110.305 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.459 ' OH ' ' HA ' ' B' ' 86' ' ' ILE . 52.0 t80 -90.63 84.44 5.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.758 0.789 . . . . 0.0 112.017 -174.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 87.5 m-85 60.73 -178.13 0.11 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.691 -1.595 . . . . 0.0 113.942 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 64.98 -76.04 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.615 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.53 3.91 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 26' ' ' ALA . 95.8 mmm -87.67 120.19 28.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 111.48 -175.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -146.39 134.83 21.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.725 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 63.62 -81.12 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.401 0.68 . . . . 0.0 112.431 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.2 m -75.72 2.13 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.566 0.698 . . . . 0.0 110.713 -174.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HA ' ' HE2' ' A' ' 22' ' ' MET . . . -56.86 -36.68 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.683 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.45 71.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 14.6 mm-40 -61.26 -52.12 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.285 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 16.8 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 0.0 111.636 -174.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.03 -46.56 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.606 0.241 . . . . 0.0 111.225 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -64.89 -27.4 68.84 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 15.1 ttmm -52.19 -48.95 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.516 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.55 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 22.8 mt -65.16 -45.29 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.111 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.8 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.876 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 m -64.09 -42.29 96.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' B' ' 58' ' ' LEU . . . -63.23 -45.02 93.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.42 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.69 -27.23 61.96 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 tp -72.02 -26.24 62.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.375 0.607 . . . . 0.0 110.424 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -91.45 -10.96 39.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.956 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.495 ' O ' HG12 ' A' ' 42' ' ' ILE . 32.0 p -131.34 -100.21 0.3 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.31 -66.07 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.157 0.983 . . . . 0.0 112.906 -176.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.646 HD13 HD22 ' A' ' 54' ' ' ASN . 13.0 pt -71.49 175.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.922 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.3 145.29 24.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.799 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.2 pt -114.87 112.37 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 121.12 0.486 . . . . 0.0 111.51 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG22 ' NE2' ' A' ' 55' ' ' GLN . 23.3 m . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.646 HD22 HD13 ' A' ' 42' ' ' ILE . 50.6 t-20 -93.94 115.53 27.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.556 ' NE2' HG22 ' A' ' 45' ' ' VAL . 3.0 mp0 -96.71 112.41 24.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.81 0.338 . . . . 0.0 111.696 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.441 ' HA ' HG22 ' A' ' 42' ' ' ILE . 84.7 m -79.89 96.4 6.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 171.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -48.01 -52.02 21.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.852 -170.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HD2' ' A' ' 79' ' ' PRO . 8.5 mp -63.04 -47.14 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.7 p -95.29 -2.59 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.618 -174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.52 31.52 81.03 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.97 51.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.699 0.285 . . . . 0.0 110.575 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 p -111.89 130.48 55.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.501 HG12 ' HA2' ' A' ' 69' ' ' GLY . 7.2 p -130.48 138.29 32.71 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.919 -177.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.48 144.85 39.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.566 2.177 . . . . 0.0 112.468 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -62.23 -8.68 6.09 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.394 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.84 -17.08 61.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.641 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -101.35 175.32 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 111.037 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 m -79.65 -21.3 44.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.133 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.501 ' HA2' HG12 ' A' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.577 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.1 m80 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.34 153.64 42.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.88 -13.9 58.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.21 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.95 0.66 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.354 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.559 ' O ' HG22 ' A' ' 81' ' ' VAL . 63.1 m -91.98 114.64 62.7 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.293 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 58' ' ' LEU . 19.1 Cg_endo -59.45 -3.69 2.03 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.261 2.641 . . . . 0.0 114.195 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG23 HD22 ' A' ' 58' ' ' LEU . 77.5 t -63.39 -31.92 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.247 176.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 78' ' ' CYS . 27.9 m -63.4 -36.59 76.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.08 0.467 . . . . 0.0 110.506 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.6 mm -67.33 -45.8 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.15 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.81 81.3 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.246 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.73 -46.72 84.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.104 0.478 . . . . 0.0 110.671 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.822 ' HB3' ' HD3' ' A' ' 90' ' ' ARG . 40.4 mt-30 -62.35 -30.51 71.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 82' ' ' ILE . 62.5 mt -74.97 -49.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.233 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.87 -14.96 60.28 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -99.38 9.44 43.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 110.666 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.1 p 48.56 74.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.348 0.659 . . . . 0.0 112.409 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.822 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 29.7 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.239 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 51.8 t80 . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' B' ' 22' ' ' MET . 18.5 m-85 -54.18 -40.43 67.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -72.95 116.3 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.86 -68.68 1.72 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -167.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' B' ' 19' ' ' PHE . 9.0 ttt 64.83 -75.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.935 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 34.7 p 45.56 -87.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -126.14 -54.94 1.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -167.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -61.87 -15.4 42.14 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.64 67.52 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.004 -0.435 . . . . 0.0 111.259 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.15 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 109.4 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.757 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 33.9 mt-10 -78.03 -31.49 50.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.399 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.22 -52.66 63.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.27 0.557 . . . . 0.0 109.964 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -45.81 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.753 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.757 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 27.6 ptt180 -66.24 -29.15 69.34 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.203 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -61.58 -40.13 93.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.047 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mt -77.55 -41.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.083 0.468 . . . . 0.0 110.249 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.653 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.36 -31.25 65.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 97.1 m -54.64 -30.55 55.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.43 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.35 80.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.5 pp -73.87 -24.59 59.75 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.62 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.728 HD12 HD23 ' B' ' 87' ' ' LEU . 95.2 mt -70.46 -30.94 67.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.347 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' B' ' 39' ' ' LYS . 39.8 mtpt -74.02 -57.9 3.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 176.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -165.59 89.91 0.46 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 122.263 1.03 . . . . 0.0 112.146 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -114.74 -4.67 12.7 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.617 166.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -71.1 141.08 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.924 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.66 ' HB2' ' HE3' ' B' ' 57' ' ' LYS . 19.4 tt0 -102.46 137.49 40.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.445 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.466 HD11 ' HA ' ' B' ' 54' ' ' ASN . 26.5 mm -124.58 116.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.286 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' B' ' 53' ' ' HIS . 7.1 m -105.58 105.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.784 169.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.631 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.6 m -85.61 125.29 33.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.088 -174.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.33 152.44 34.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.731 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -38.09 53.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.083 0.468 . . . . 0.0 110.797 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -104.69 -44.93 4.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.28 -9.34 85.75 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.502 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . 0.427 ' O ' ' HD2' ' B' ' 53' ' ' HIS . . . 81.79 170.39 44.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.062 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -66.45 135.95 55.0 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 171.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.469 ' HB2' HG23 ' B' ' 45' ' ' VAL . 14.7 m-70 -114.4 124.87 53.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.372 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.466 ' HA ' HD11 ' B' ' 44' ' ' ILE . 37.3 t-20 -86.94 111.08 20.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.548 ' HA ' ' HB2' ' B' ' 62' ' ' SER . 19.0 mt-30 -127.61 142.58 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.22 0.533 . . . . 0.0 111.374 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.499 ' HB3' ' SG ' ' B' ' 59' ' ' CYS . 37.5 t -102.66 116.77 33.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.66 ' HE3' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -76.59 -1.08 25.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.398 -175.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 36' ' ' ALA . 12.2 tp -80.96 -39.55 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' B' ' 56' ' ' CYS . 7.5 p -101.32 -41.58 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.97 1.66 56.07 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.634 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.6 134.43 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' B' ' 55' ' ' GLN . 65.0 m -153.54 -166.93 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.458 HG11 ' HA2' ' B' ' 69' ' ' GLY . 15.0 p -110.77 145.2 31.86 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.139 -164.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.45 ' HD2' HG22 ' B' ' 63' ' ' VAL . 10.2 Cg_endo -54.38 151.03 31.34 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.165 2.577 . . . . 0.0 113.493 176.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.453 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 38.5 t-105 -66.22 163.06 18.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.301 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 92.1 mt 78.52 -19.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.093 0.957 . . . . 0.0 111.897 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -93.87 164.42 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -56.4 113.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.965 0.412 . . . . 0.0 110.504 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.458 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.544 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.669 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 135.35 34.22 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.404 ' HA ' HG21 ' B' ' 81' ' ' VAL . 2.2 m-20 -76.25 -5.06 45.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.451 0.643 . . . . 0.0 109.739 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.66 -16.21 58.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.871 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 76.4 m -66.96 135.4 94.1 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.747 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.55 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.0 Cg_exo -56.92 -18.42 27.76 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.337 2.691 . . . . 0.0 113.457 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.08 -43.88 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.013 0.435 . . . . 0.0 110.748 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' B' ' 76' ' ' ASP . 47.9 t -69.49 -42.35 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.625 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 46.3 mm -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.942 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.95 92.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -58.9 -47.41 85.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.505 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.36 -36.42 66.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.137 0.494 . . . . 0.0 110.597 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.459 ' HA ' ' OH ' ' A' ' 18' ' ' TYR . 72.6 mt -75.07 -54.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.917 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.728 HD23 HD12 ' B' ' 38' ' ' LEU . 4.5 pp -72.54 -17.1 61.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -88.37 -21.0 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.539 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.279 0.561 . . . . 0.0 110.363 178.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.673 ' HB3' ' HA ' ' A' ' 22' ' ' MET . 91.7 mt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.871 0.367 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -97.44 -175.76 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.752 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.691 ' HD2' ' HB3' ' B' ' 22' ' ' MET . 64.0 m-85 -55.75 158.49 3.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.348 0.259 . . . . 0.0 111.284 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? 79.91 -35.52 0.14 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.921 0.888 . . . . 0.0 110.959 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 45.21 1.02 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.685 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.673 ' HA ' ' HB3' ' A' ' 17' ' ' LEU . 12.9 ptp -87.63 -24.31 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.462 ' HG1' ' C ' ' A' ' 22' ' ' MET . 40.6 p 50.01 -95.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.43 -64.5 1.29 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -53.71 -32.91 53.78 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -168.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' CB ' ' HB2' ' A' ' 22' ' ' MET . . . -60.05 -25.17 65.14 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -63.86 -27.45 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.013 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -84.53 -38.62 19.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -62.52 -45.9 90.88 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.158 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -30.35 42.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 25.5 ttm-85 -63.67 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.831 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -63.41 -49.59 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.993 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 pt -65.27 -33.35 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.215 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.08 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 111.218 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 m -76.62 -30.34 56.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -52.71 -44.44 66.33 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 38' ' ' LEU . 4.0 pp -69.12 -33.83 74.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 111.389 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 37' ' ' LEU . 39.1 tp -78.91 -26.47 43.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.543 0.687 . . . . 0.0 110.202 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.7 ' HG3' HG21 ' A' ' 40' ' ' THR . 47.1 tptt -74.61 -36.51 62.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.728 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.7 HG21 ' HG3' ' A' ' 39' ' ' LYS . 7.3 p -133.3 -56.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.15 65.78 3.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.313 0.577 . . . . 0.0 111.664 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' A' ' 56' ' ' CYS . 11.1 tp -146.93 154.26 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.729 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.42 141.87 36.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.305 0.574 . . . . 0.0 110.674 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 HG23 ' HA ' ' A' ' 54' ' ' ASN . 1.3 pp -133.04 134.18 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.713 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.318 -0.783 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 176.133 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.673 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 28.0 t-20 -88.62 137.47 32.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.894 -176.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.44 110.47 13.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.805 ' HA ' HD11 ' A' ' 42' ' ' ILE . 77.5 m -68.05 111.66 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -79.25 38.25 0.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.234 -162.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -157.27 13.38 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 56' ' ' CYS . 23.8 p -152.17 -31.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.89 2.83 68.82 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.177 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.7 137.6 38.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.014 0.407 . . . . 0.0 110.232 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.3 p -100.11 123.93 44.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.45 0.643 . . . . 0.0 110.246 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 85.2 t -106.55 143.92 27.98 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.55 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 69' ' ' GLY . 70.6 Cg_exo -56.34 7.5 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.999 3.133 . . . . 0.0 114.468 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.673 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 0.0 OUTLIER 85.62 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.748 1.219 . . . . 0.0 112.171 173.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.7 tp -76.94 79.27 3.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.717 0.294 . . . . 0.0 111.012 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 61.42 -88.21 0.02 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.131 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.2 m -103.19 -20.93 13.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 64' ' ' PRO . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -171.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 p80 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.37 98.77 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 168.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.75 -29.7 70.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.98 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -80.16 -23.42 41.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.798 0.332 . . . . 0.0 110.956 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 60.1 m -80.45 118.61 73.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -176.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 32.7 Cg_exo -60.33 -23.67 75.21 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.341 2.694 . . . . 0.0 113.222 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.78 -34.81 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.658 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.34 -36.56 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.53 -47.64 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.937 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.15 -42.99 70.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.814 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HA ' ' HG ' ' A' ' 87' ' ' LEU . 89.2 mttt -62.48 -44.73 95.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.839 0.352 . . . . 0.0 110.731 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.28 -40.41 86.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.532 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.01 -50.86 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.438 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 84' ' ' LYS . 4.0 pp -69.84 -16.97 63.35 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 t -88.05 -36.52 16.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m 65.91 23.1 11.31 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.703 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 36.1 mmt180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 t80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 64.17 17.85 10.92 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.712 0.632 . . . . 0.0 110.854 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -112.83 -36.32 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.716 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -164.43 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.975 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.691 ' HB3' ' HD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER 77.59 132.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.362 0.665 . . . . 0.0 111.521 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -118.29 -170.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -44.19 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.288 0.635 . . . . 0.0 112.082 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.9 m -66.16 -32.24 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.051 0.453 . . . . 0.0 111.469 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.99 -22.69 67.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.201 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.24 -29.98 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.299 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.468 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 36.2 tt0 -78.44 -36.85 44.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.73 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.48 -53.63 45.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.52 -34.69 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.397 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.468 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 12.5 ptm180 -73.58 -30.17 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.729 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.22 -45.24 81.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.615 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.06 -33.96 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.83 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -68.39 -34.84 76.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.113 0.482 . . . . 0.0 110.845 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 27.0 m -76.28 -30.46 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.5 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.741 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.4 pp -67.81 -30.57 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.666 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 33.8 tp -80.18 -26.0 39.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 0.0 110.848 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.717 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.1 OUTLIER -56.45 -38.05 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.266 -178.557 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.459 HG22 ' H ' ' B' ' 41' ' ' ALA . 2.0 t -113.41 -71.46 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.326 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.459 ' H ' HG22 ' B' ' 40' ' ' THR . . . 66.87 -43.57 0.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.598 HG22 ' ND2' ' B' ' 54' ' ' ASN . 7.8 mm -122.42 101.14 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -170.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.49 -178.87 3.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.28 142.42 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.583 HG11 ' HE2' ' B' ' 57' ' ' LYS . 7.7 m -111.24 132.29 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -88.15 135.91 33.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.115 0.483 . . . . 0.0 112.112 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.25 152.98 41.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.404 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.89 -36.86 30.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.416 . . . . 0.0 110.099 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.21 -46.77 66.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.12 92.97 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.47 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.19 -175.21 44.24 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.49 21.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.119 0.485 . . . . 0.0 111.43 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.463 ' HB2' HG21 ' B' ' 45' ' ' VAL . 81.1 m-70 -106.52 112.19 25.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.402 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.598 ' ND2' HG22 ' B' ' 42' ' ' ILE . 2.2 t-20 -95.98 105.72 17.79 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -156.36 157.33 35.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.935 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.74 123.05 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.588 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 33.1 mmtp -62.85 -11.72 20.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -171.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.454 HD21 ' HB1' ' A' ' 36' ' ' ALA . 5.9 mp -82.69 -105.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 83.8 m -151.6 12.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' B' ' 74' ' ' HIS . . . -87.86 -12.84 65.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.742 -0.742 . . . . 0.0 114.003 -170.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.18 130.77 8.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.601 0.7 . . . . 0.0 111.967 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 38.2 t -139.56 123.56 17.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.61 138.5 13.48 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.234 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.36 140.8 71.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.19 1.926 . . . . 0.0 111.292 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -69.9 -11.3 60.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.268 0.556 . . . . 0.0 110.961 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 22.58 5.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -144.79 162.91 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.013 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -78.16 147.19 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.784 0.326 . . . . 0.0 110.404 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . 0.448 ' HA ' ' O ' ' B' ' 60' ' ' GLY . 81.1 m-70 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.52 144.53 56.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.707 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -80.11 -6.71 58.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.961 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.89 -12.68 60.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.141 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 68.4 m -99.0 145.35 29.82 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.876 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 16.6 Cg_exo -68.4 3.0 2.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.472 2.781 . . . . 0.0 112.7 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 44.9 t -60.54 -31.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.254 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.5 -46.19 47.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.721 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.3 -43.78 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' B' ' 87' ' ' LEU . . . -57.95 -44.25 86.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 8.2 mtpm? -52.97 -52.61 57.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.393 0.616 . . . . 0.0 110.845 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.19 -39.98 95.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.796 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.26 -52.14 50.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 83' ' ' ALA . 4.5 pp -70.69 -16.75 62.82 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 71.3 m -70.8 -50.41 35.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.471 0.625 0 C-N-CA 123.868 0.867 . . . . 0.0 111.8 -175.326 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.1 166.04 16.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.983 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' B' ' 27' ' ' ALA . 97.2 m-85 -64.16 -19.12 65.08 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.841 -176.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -82.9 95.31 7.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.83 -95.73 0.58 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.527 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 15.4 mmt 68.5 -36.4 0.32 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 22' ' ' MET . 87.7 m 74.2 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.259 0.35 . . . . 0.0 111.627 173.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -169.57 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.119 0.485 . . . . 0.0 110.525 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 m -67.01 -6.12 15.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.443 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -55.67 -36.37 67.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.346 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -74.15 -28.3 61.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.041 0.448 . . . . 0.0 110.785 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -56.28 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 2.3 m-20 -65.66 -23.78 66.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.217 -173.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG12 HG22 ' A' ' 86' ' ' ILE . 74.5 t -69.47 -44.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.989 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 26.7 mtm180 -66.39 -38.46 87.57 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 79.5 tttt -52.93 -49.67 65.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.713 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.888 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 25.4 pt -72.79 -33.62 44.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.693 0.283 . . . . 0.0 111.357 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.648 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -67.44 -32.45 73.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -57.35 -30.61 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.374 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB1' ' HG2' ' B' ' 79' ' ' PRO . . . -61.92 -45.11 95.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.675 0.274 . . . . 0.0 111.188 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.701 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 3.5 pp -78.57 -23.41 46.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 37' ' ' LEU . 7.9 mp -73.63 -26.94 61.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.757 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -87.97 -41.26 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.489 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 p -133.95 -89.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.084 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . 64.06 -65.41 0.13 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.864 0.866 . . . . 0.0 112.286 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 54' ' ' ASN . 57.7 mt -54.7 122.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 -173.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -104.16 164.89 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.287 0.565 . . . . 0.0 111.045 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.26 116.17 46.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.571 0.701 . . . . 0.0 109.668 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.491 -178.083 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.589 HD22 HG21 ' A' ' 42' ' ' ILE . 2.6 t-20 -95.45 128.87 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.504 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -120.94 154.57 35.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.213 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 25.7 p -103.1 163.49 12.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 110.633 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' B' ' 40' ' ' THR . 37.0 mttp -95.55 84.63 4.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.205 0.526 . . . . 0.0 110.187 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 57' ' ' LYS . 7.7 mp 74.0 106.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.812 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.636 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 44.3 t 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.123 -1.398 . . . . 0.0 108.588 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.91 51.19 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.935 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.26 158.57 39.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -145.09 157.01 44.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.876 0.37 . . . . 0.0 110.537 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.491 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 9.7 p -150.79 142.59 15.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.334 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.58 132.43 45.47 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.204 1.936 . . . . 0.0 111.722 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -65.96 -8.0 20.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.85 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.76 -27.62 66.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.463 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -98.47 -170.62 1.98 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.653 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.2 t -92.01 172.79 8.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.574 ' HA3' HD12 ' A' ' 42' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.901 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.607 -175.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.708 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.47 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.959 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -79.33 -14.94 58.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.384 0.612 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.19 -16.63 64.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.115 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 59' ' ' CYS . 8.2 m -90.18 125.73 59.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.646 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.87 -15.18 36.71 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.444 2.763 . . . . 0.0 113.183 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.37 -29.45 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.36 -30.69 50.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.015 0.435 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.3 mm -61.8 -46.11 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 176.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.22 78.08 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.794 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -68.3 -28.98 67.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.915 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.96 -39.55 72.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.592 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.607 HG22 HG12 ' A' ' 30' ' ' VAL . 76.7 mt -64.49 -48.12 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.257 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.77 -20.48 64.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 111.141 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -82.84 -37.97 23.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t 67.98 -173.18 0.19 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.785 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.007 -176.361 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.01 153.58 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 59.35 24.58 13.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.441 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.11 52.66 0.72 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 64.7 mtt -107.85 125.55 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.391 0.615 . . . . 0.0 111.742 -170.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -154.52 -40.33 0.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.499 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.96 -57.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -57.25 -53.76 54.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -25.52 33.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -69.25 -28.65 66.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.982 0.42 . . . . 0.0 110.904 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.2 -42.21 23.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.432 -176.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -61.93 -45.77 92.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.291 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.84 -32.9 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.751 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -65.89 -30.98 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -57.42 -49.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.713 -177.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.3 pt -72.92 -30.48 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.957 0.408 . . . . 0.0 111.065 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.582 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -69.15 -32.33 71.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.044 0.45 . . . . 0.0 111.231 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.426 ' HA ' HD22 ' B' ' 38' ' ' LEU . 83.7 m -60.11 -28.7 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.764 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.7 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.606 HD12 HG12 ' B' ' 80' ' ' VAL . 4.6 pp -67.76 -23.96 65.29 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.389 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' B' ' 35' ' ' THR . 3.5 mm? -65.06 -26.09 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.75 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -91.84 -31.76 15.59 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.853 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.429 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 2.2 t -158.46 91.57 1.09 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.162 0.982 . . . . 0.0 111.323 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.7 8.96 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.471 170.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.444 HG22 ' ND2' ' B' ' 54' ' ' ASN . 69.7 mt -126.81 144.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.619 -174.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' B' ' 57' ' ' LYS . 4.5 tp10 -104.66 145.53 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -112.31 111.56 36.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.519 0.676 . . . . 0.0 110.765 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.414 HG21 ' HB2' ' B' ' 53' ' ' HIS . 6.3 m -106.61 106.29 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.929 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.587 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 36.1 t -92.66 141.85 28.02 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.03 178.97 5.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.894 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -72.55 -43.38 63.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.035 -176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -130.59 -22.76 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.964 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.84 -101.97 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.523 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.05 -168.61 25.26 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.987 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.587 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -79.05 158.49 27.85 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.807 0.337 . . . . 0.0 111.041 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' B' ' 45' ' ' VAL . 86.8 m-70 -140.12 137.59 34.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' B' ' 42' ' ' ILE . 18.3 t-20 -90.58 117.18 29.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.876 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -123.75 127.39 48.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 111.673 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.84 98.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' B' ' 57' ' ' LYS . 2.0 tmtp? -69.48 -21.48 63.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.194 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' B' ' 78' ' ' CYS . 7.5 tp -85.57 8.17 20.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.855 -174.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 48.4 t -153.45 -42.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.131 0.491 . . . . 0.0 110.887 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.17 61.29 0.7 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.406 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 130.68 44.4 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -101.94 135.88 42.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.075 0.464 . . . . 0.0 110.773 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 7.2 p -138.56 137.82 20.96 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.721 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.16 131.96 32.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.794 2.329 . . . . 0.0 112.88 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.467 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 7.8 p90 -73.36 164.68 26.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.213 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 70.85 20.25 5.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -121.52 162.01 21.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -74.62 -25.98 59.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.828 176.197 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.723 0.296 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.21 115.18 22.3 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.523 ' HA ' HG23 ' B' ' 81' ' ' VAL . 53.8 m-20 -72.51 -8.83 57.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.096 0.474 . . . . 0.0 110.803 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.25 -22.35 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.984 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.581 ' HB3' HD22 ' B' ' 58' ' ' LEU . 80.6 m -64.76 127.22 92.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -177.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.888 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -52.39 -23.94 20.12 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 123.751 2.967 . . . . 0.0 113.734 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.606 HG12 HD12 ' B' ' 37' ' ' LEU . 76.7 t -61.32 -34.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.054 0.454 . . . . 0.0 110.398 177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' B' ' 76' ' ' ASP . 33.5 t -71.21 -46.69 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.055 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.44 ' O ' HG13 ' B' ' 86' ' ' ILE . 9.6 tp -68.7 -38.73 79.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 110.371 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.87 88.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.405 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.555 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 21.9 ptmt -67.6 -27.87 67.28 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.04 -36.4 72.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.3 mt -70.67 -44.84 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.085 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.555 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -76.17 -8.49 57.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.799 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -67.72 107.59 2.63 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.318 -0.785 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.311 -176.806 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.509 HD13 ' HB ' ' A' ' 23' ' ' THR . 73.8 mt . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.01 -172.08 2.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.803 0.335 . . . . 0.0 110.7 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' B' ' 27' ' ' ALA . 66.1 m-85 -75.55 174.71 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.43 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 73.6 -52.6 0.7 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.969 0.793 . . . . 0.0 110.455 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.66 67.3 0.33 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.458 ' SD ' ' HB2' ' B' ' 22' ' ' MET . 65.5 mtp -86.03 -168.83 2.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.096 0.474 . . . . 0.0 110.561 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.509 ' HB ' HD13 ' A' ' 17' ' ' LEU . 12.6 t -152.37 -173.74 4.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.7 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.34 -52.57 25.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -75.5 -8.29 56.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.294 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -31.38 71.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.097 0.475 . . . . 0.0 110.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.04 -31.1 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.342 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HG3' HH21 ' A' ' 31' ' ' ARG . 38.4 tt0 -75.07 -34.9 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.67 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.602 ' HA ' ' HZ3' ' A' ' 32' ' ' LYS . 1.2 m-20 -60.6 -42.79 97.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.651 0.262 . . . . 0.0 110.738 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 33' ' ' ILE . 16.7 t -74.6 -31.19 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.242 0.544 . . . . 0.0 109.895 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 52.3 ttp180 -63.02 -30.91 71.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.439 176.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HZ3' ' HA ' ' A' ' 29' ' ' ASP . 28.5 mtmm -57.91 -47.93 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.759 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 30' ' ' VAL . 37.5 pt -68.15 -35.55 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.841 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -66.21 -47.15 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.713 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.9 m -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' B' ' 79' ' ' PRO . . . -66.3 -45.66 79.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.617 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 3.3 pp -70.51 -28.61 65.09 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.909 -175.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 38' ' ' LEU . 3.2 mm? -69.62 -34.58 74.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 110.26 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.678 ' HG3' HG23 ' A' ' 40' ' ' THR . 48.3 tptt -71.51 -57.13 4.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.035 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.678 HG23 ' HG3' ' A' ' 39' ' ' LYS . 2.3 t -162.08 83.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.892 0.853 . . . . 0.0 112.664 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . -115.52 5.61 14.47 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.387 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.453 HG12 ' HB3' ' A' ' 56' ' ' CYS . 39.8 mt -106.83 130.92 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.779 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.0 155.73 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.378 . . . . 0.0 110.346 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.603 HG23 HD21 ' A' ' 54' ' ' ASN . 1.5 pp -98.13 132.08 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.338 0.59 . . . . 0.0 111.185 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.467 174.2 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.61 0.243 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.603 HD21 HG23 ' A' ' 44' ' ' ILE . 28.5 t-20 -109.24 106.34 16.15 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -139.56 132.65 29.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.921 -173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.453 ' HB3' HG12 ' A' ' 42' ' ' ILE . 7.4 p -84.93 117.89 24.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.155 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -78.43 -14.29 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.002 0.43 . . . . 0.0 110.742 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 10.3 tp -82.08 8.57 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.7 t -148.19 -32.85 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.25 2.22 62.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.034 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 130.0 34.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.4 m -108.33 124.16 49.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.477 . . . . 0.0 110.749 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.683 HG12 ' H ' ' A' ' 65' ' ' TRP . 94.4 t -103.54 132.34 21.17 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.857 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 63' ' ' VAL . 20.6 Cg_exo -67.2 -4.04 10.94 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.207 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.683 ' H ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER 72.45 -37.56 0.39 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.918 0.887 . . . . 0.0 112.539 174.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.26 2.16 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.85 171.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' HB3' ' HG2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -136.24 151.85 50.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -50.03 -33.08 17.03 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.737 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -178.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.4 m80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.5 129.73 41.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -80.79 -14.84 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.728 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.09 -38.61 79.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.191 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 80' ' ' VAL . 58.3 m -80.73 153.38 73.02 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.949 -174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.74 ' HB2' HG22 ' B' ' 33' ' ' ILE . 40.1 Cg_endo -67.87 10.11 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.882 2.388 . . . . 0.0 112.619 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' A' ' 78' ' ' CYS . 49.0 t -61.13 -29.85 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.537 . . . . 0.0 109.676 174.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.57 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 14.2 m -54.65 -37.68 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.149 174.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.58 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.7 mm -70.19 -47.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.228 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -55.11 -41.7 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.793 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 11.3 ptmm? -67.68 -29.44 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.055 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 81' ' ' VAL . 6.1 mm-40 -76.37 -34.51 58.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.916 0.388 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 82' ' ' ILE . 37.7 mt -63.03 -41.0 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.966 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 64.5 tp -60.72 -30.45 69.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.4 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -84.27 46.19 1.19 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.858 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -60.55 116.45 4.35 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 . . . . . 0 N--CA 1.467 0.388 0 O-C-N 123.746 0.654 . . . . 0.0 109.866 -177.048 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 p90 . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.514 ' HE2' HG12 ' A' ' 86' ' ' ILE . 90.0 m-85 -78.22 -170.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.559 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.438 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 19.5 tm0? 78.09 -27.59 0.17 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.961 0.788 . . . . 0.0 110.329 -176.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' B' ' 19' ' ' PHE . . . -123.28 26.33 6.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.815 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.489 ' HG2' ' HA ' ' B' ' 19' ' ' PHE . 18.2 mmt -91.83 140.11 30.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.069 0.461 . . . . 0.0 110.939 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.0 m -123.92 -59.93 1.47 Allowed 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.758 -171.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -105.24 -83.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -167.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 -10.06 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -164.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.47 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.687 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.526 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -61.88 -29.62 70.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.72 -36.81 19.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.59 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.21 -41.93 99.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.972 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.425 ' O ' HG13 ' B' ' 33' ' ' ILE . 64.5 t -69.03 -41.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.74 0.305 . . . . 0.0 111.454 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -69.95 -27.39 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.134 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -56.62 -55.86 28.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.74 HG22 ' HB2' ' A' ' 79' ' ' PRO . 1.3 pt -66.06 -42.21 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.072 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.97 74.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.379 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.7 m -64.68 -41.24 96.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.453 ' HB2' HD11 ' A' ' 58' ' ' LEU . . . -61.36 -43.4 98.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.68 -177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.703 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 3.4 pp -73.87 -24.92 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.66 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' B' ' 37' ' ' LEU . 1.8 mm? -79.1 -42.41 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.343 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.624 ' HG3' HG21 ' B' ' 40' ' ' THR . 19.8 ptmt -80.84 -44.52 18.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -167.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.624 HG21 ' HG3' ' B' ' 39' ' ' LYS . 13.6 t -156.1 13.95 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.152 -170.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.703 ' CB ' ' HA ' ' B' ' 37' ' ' LEU . . . -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.139 0.495 . . . . 0.0 110.696 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' B' ' 56' ' ' CYS . 8.4 mt -88.65 -122.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.876 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -158.71 149.79 20.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.5 0.667 . . . . 0.0 110.871 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.468 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 21.3 mm -87.77 126.84 41.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.737 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.88 106.89 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 170.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 16.9 p -95.23 141.94 28.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.375 -174.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 49' ' ' ASP . 39.8 mt-10 -76.87 98.58 4.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.693 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.41 -78.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.145 0.903 . . . . 0.0 111.693 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' B' ' 47' ' ' GLU . 20.9 t70 -142.99 -28.93 0.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.609 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -78.4 0.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.155 -0.545 . . . . 0.0 114.226 -170.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.75 165.71 28.52 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.855 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -135.39 133.37 38.63 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.654 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -121.41 132.75 54.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.697 0.284 . . . . 0.0 110.823 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.456 ' HB3' HG12 ' B' ' 63' ' ' VAL . 43.3 t30 -96.26 113.23 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -106.59 114.9 29.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.655 ' HA ' HD11 ' B' ' 42' ' ' ILE . 49.0 t -80.29 107.86 13.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.571 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.1 OUTLIER -68.54 -11.28 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 179.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -88.08 0.94 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.501 -173.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . 0.502 ' HA ' ' SG ' ' B' ' 78' ' ' CYS . 20.9 p -159.7 -31.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.31 18.05 25.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.963 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.9 163.91 12.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.558 0.218 . . . . 0.0 110.861 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.456 HG12 ' HB3' ' B' ' 54' ' ' ASN . 7.5 p -135.83 135.98 22.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.907 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.49 150.16 61.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.728 2.285 . . . . 0.0 112.441 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.472 ' HB3' ' HB2' ' B' ' 52' ' ' ALA . 3.4 p90 -57.27 -18.13 15.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.87 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.03 -23.17 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.72 0.295 . . . . 0.0 111.413 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.99 170.3 9.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.54 -68.86 0.9 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -172.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.45 0 C-N-CA 119.033 -1.556 . . . . 0.0 114.862 -168.779 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -76.7 142.72 40.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.097 0.475 . . . . 0.0 111.972 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.73 -19.8 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.913 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.07 -21.11 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.042 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.505 ' O ' HG21 ' B' ' 81' ' ' VAL . 57.3 m -87.49 127.68 57.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.635 -175.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 27.1 Cg_exo -64.03 -3.79 6.53 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.179 2.586 . . . . 0.0 113.243 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.02 -38.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.505 HG21 ' O ' ' B' ' 78' ' ' CYS . 18.5 m -62.08 -37.42 78.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.999 0.428 . . . . 0.0 111.06 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.47 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.2 mm -66.98 -51.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB3' HG21 ' A' ' 33' ' ' ILE . . . -57.67 -45.66 85.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.086 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.26 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.47 -37.05 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.596 0.236 . . . . 0.0 110.948 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.7 mt -61.58 -43.63 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.924 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -76.5 -13.19 60.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.622 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -82.28 56.0 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.362 0.601 . . . . 0.0 110.454 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.09 179.217 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.644 ' HB2' ' H ' ' A' ' 22' ' ' MET . 5.6 mp . . . . . 0 C--O 1.234 0.244 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.428 ' O ' ' HG2' ' A' ' 22' ' ' MET . 55.1 t80 64.85 171.54 0.2 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.262 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' HE2' HD13 ' B' ' 86' ' ' ILE . 80.5 m-85 -78.49 27.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.03 -0.419 . . . . 0.0 112.067 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.744 ' HG3' ' HA ' ' B' ' 23' ' ' THR . 24.2 tt0 -121.13 12.61 11.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -108.72 0.27 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.465 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.644 ' H ' ' HB2' ' A' ' 17' ' ' LEU . 20.9 mmt 68.47 131.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.807 0.813 . . . . 0.0 111.847 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -71.87 0.35 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.196 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -139.78 -10.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.841 0.829 . . . . 0.0 108.975 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.454 ' HA ' ' CG ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -63.52 -12.77 34.96 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.729 -173.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.2 94.39 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.07 58.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 25' ' ' THR . 6.4 mm-40 -64.67 -50.11 68.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.414 -174.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 26.8 t70 -83.97 -40.27 18.69 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.65 -30.61 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.813 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.6 ttp-105 -56.7 -36.55 69.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 28.1 ttmt -61.07 -45.73 93.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.59 -41.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.287 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 87' ' ' LEU . . . -64.18 -43.98 93.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.884 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.1 m -62.77 -31.7 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.92 18.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.052 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -64.11 -24.39 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -175.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.21 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.992 0.425 . . . . 0.0 110.749 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.1 -55.86 3.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.79 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' B' ' 57' ' ' LYS . 11.6 p -99.07 50.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -139.74 7.52 2.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.639 0.733 . . . . 0.0 109.482 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 55' ' ' GLN . 3.0 mp -115.63 136.82 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.128 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.27 143.2 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.22 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG21 ' HA ' ' A' ' 54' ' ' ASN . 17.5 pt -102.43 112.59 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.063 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.319 -0.745 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.149 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.093 0.473 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.474 ' HA ' HG21 ' A' ' 44' ' ' ILE . 42.8 t-20 -81.18 104.59 11.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 26.8 tt0 -128.12 123.56 34.78 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -65.04 119.42 10.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.297 170.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HG2' HG21 ' B' ' 40' ' ' THR . 73.9 tttt -77.38 -6.94 55.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.45 -167.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' B' ' 36' ' ' ALA . 12.7 tp -75.73 -55.22 5.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.146 -176.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -102.63 -24.67 13.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.467 . . . . 0.0 110.995 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.47 61.76 1.61 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.3 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.66 40.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.83 ' HB3' ' HB2' ' A' ' 55' ' ' GLN . 59.4 p -122.53 162.64 21.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.372 0.606 . . . . 0.0 112.546 -173.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -133.43 142.98 46.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.348 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 127.07 23.07 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.896 2.398 . . . . 0.0 111.996 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -63.31 -28.79 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.062 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.02 17.4 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.682 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HG2' HG23 ' A' ' 68' ' ' THR . 30.0 tt0 -87.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 67' ' ' GLN . 8.3 t 176.75 -35.97 0.01 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.662 -178.631 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.8 m80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.654 0.264 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.6 150.97 23.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.23 -13.57 62.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.517 0.675 . . . . 0.0 110.251 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -82.69 -12.76 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.909 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.6 m -86.64 135.42 36.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.484 -176.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.22 2.85 2.42 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.884 2.39 . . . . 0.0 112.399 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.33 -29.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.088 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.76 -51.07 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.534 ' O ' HG12 ' A' ' 86' ' ' ILE . 6.3 tp -64.99 -44.15 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.473 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.67 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.68 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 86.0 tttt -64.25 -36.97 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.274 0.559 . . . . 0.0 110.815 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.22 -37.59 83.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 82' ' ' ILE . 50.5 mm -62.65 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.813 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -70.0 -15.55 63.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.493 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 t -86.51 -37.85 17.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.499 ' OG ' ' HD3' ' A' ' 31' ' ' ARG . 32.8 m 65.0 17.38 11.06 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.12 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 120.567 0.222 . . . . 0.0 110.73 -178.758 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.561 0.219 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -142.59 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -72.92 70.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.512 0.508 . . . . 0.0 111.665 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' B' ' 26' ' ' ALA . . . 75.28 117.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.653 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.14 102.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.299 0.571 . . . . 0.0 110.703 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.744 ' HA ' ' HG3' ' A' ' 20' ' ' GLN . 13.0 t 174.63 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.987 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.24 -30.17 68.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 0.0 110.996 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.729 ' H ' HG22 ' B' ' 23' ' ' THR . 10.2 m -76.32 -33.94 59.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.575 -175.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' B' ' 21' ' ' GLY . . . -63.23 -38.94 93.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 174.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.02 81.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.327 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.49 -42.69 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.273 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.25 -53.75 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 111.066 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.45 -34.68 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.512 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 1.8 tmt_? -60.92 -42.06 97.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.376 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -57.1 -46.33 82.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.381 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 32.9 mt -64.42 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.775 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -63.9 -39.26 93.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.478 -174.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.1 m -66.21 -32.62 74.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -71.96 -42.64 66.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.367 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.6 pp -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 110.826 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.99 -26.45 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.53 0.681 . . . . 0.0 109.95 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -90.65 -44.02 9.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.469 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.454 HG21 ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -133.14 31.1 3.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -168.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -117.68 31.16 6.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.384 0.611 . . . . 0.0 110.748 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 47.2 mt -120.27 134.14 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.726 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -106.16 152.81 22.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 pt -110.47 111.24 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-O 121.103 0.478 . . . . 0.0 110.326 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 m -106.89 106.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.467 0.651 . . . . 0.0 110.464 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.654 ' HA ' ' H ' ' B' ' 52' ' ' ALA . 14.1 m -107.82 138.28 44.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.187 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.5 ' H ' ' HA3' ' B' ' 51' ' ' GLY . 56.4 mm-40 -75.24 158.4 32.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.792 0.329 . . . . 0.0 110.607 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.96 -36.61 72.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.887 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -89.45 -65.79 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.99 -86.09 0.55 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.704 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . 0.5 ' HA3' ' H ' ' B' ' 47' ' ' GLU . . . 54.27 -121.84 21.39 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-O 121.467 0.482 . . . . 0.0 112.851 -175.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.654 ' H ' ' HA ' ' B' ' 46' ' ' SER . . . 77.57 84.05 0.08 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.473 -1.364 . . . . 0.0 111.422 177.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -129.08 120.15 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.384 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -95.93 107.41 19.67 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -140.55 146.16 37.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.327 0.584 . . . . 0.0 111.39 -172.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -84.72 145.67 27.81 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 40' ' ' THR . 74.0 mmtt -53.16 -38.33 62.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.084 0.468 . . . . 0.0 111.726 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.78 6.77 26.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 16.8 t 65.32 21.29 11.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.212 0.53 . . . . 0.0 110.664 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.77 92.92 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.474 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.17 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -137.02 124.72 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.431 ' CG2' ' HD2' ' B' ' 64' ' ' PRO . 13.5 p -151.92 143.24 15.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 10.1 Cg_endo -52.38 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.048 2.499 . . . . 0.0 113.376 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 57.66 -166.67 0.14 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.124 176.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.13 84.48 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.439 ' O ' ' HB ' ' B' ' 68' ' ' THR . 7.2 tt0 -155.02 107.99 2.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.421 -177.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' B' ' 67' ' ' GLN . 91.6 m 74.91 142.82 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.381 0.61 . . . . 0.0 111.606 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.941 178.281 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 27.2 p80 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.635 0.255 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.57 126.16 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.293 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.36 -25.44 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.25 0.548 . . . . 0.0 110.541 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.2 -17.2 60.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.737 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.505 ' SG ' HG23 ' B' ' 80' ' ' VAL . 15.9 t -74.89 130.0 82.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.813 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 25.7 Cg_exo -63.37 -13.29 35.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.314 2.676 . . . . 0.0 113.05 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.505 HG23 ' SG ' ' B' ' 78' ' ' CYS . 31.5 m -64.24 -29.4 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.316 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.07 -48.33 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 120.697 0.284 . . . . 0.0 111.41 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.505 ' O ' HG13 ' B' ' 86' ' ' ILE . 2.7 pp -74.9 -31.75 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.786 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.27 -53.07 62.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.653 0.263 . . . . 0.0 111.062 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.538 ' HA ' ' CD2' ' B' ' 87' ' ' LEU . 0.0 OUTLIER -63.55 -28.67 70.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.547 176.682 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.36 -40.8 94.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.716 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.552 HD13 ' HE2' ' A' ' 19' ' ' PHE . 91.1 mt -66.78 -45.69 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.315 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' B' ' 84' ' ' LYS . 3.0 pp -66.45 -24.97 66.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 t -75.59 -54.26 7.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.496 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.535 0.394 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.38 175.695 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -107.47 92.27 4.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.394 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CE1' HG21 ' B' ' 30' ' ' VAL . 56.3 m-85 68.14 -46.6 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.284 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.14 -35.43 71.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.27 0.557 . . . . 0.0 110.273 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.46 123.94 3.53 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.531 ' HB2' ' HB3' ' B' ' 19' ' ' PHE . 1.1 mmt -133.27 174.86 9.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.005 0.402 . . . . 0.0 110.698 -173.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -122.5 -178.03 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.84 -35.71 74.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.5 m -56.71 -28.52 61.09 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.715 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.515 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HA ' ' CE2' ' B' ' 19' ' ' PHE . . . -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.685 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 36.1 tt0 -75.68 -46.46 31.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.26 -54.58 43.62 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.25 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.48 -37.99 81.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' ' HB2' ' A' ' 87' ' ' LEU . 47.5 ttt180 -67.5 -43.78 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.709 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 27.3 mtpp -63.83 -42.69 97.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.821 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 77.8 mt -67.15 -51.37 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . . . -57.69 -35.76 71.05 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 112.078 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -72.67 -31.79 65.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.72 ' HB2' HD22 ' B' ' 58' ' ' LEU . . . -70.24 -32.36 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HA ' HG22 ' A' ' 40' ' ' THR . 13.4 mt -60.59 -39.4 87.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.8 -36.61 67.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.57 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -91.44 -15.63 28.58 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 37' ' ' LEU . 6.8 t -105.68 -22.44 12.96 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.33 -19.03 19.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.23 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.89 112.74 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 159.46 15.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.532 0.682 . . . . 0.0 111.768 -173.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.2 pp -111.61 124.27 68.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.645 169.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.313 -1.015 0 CA-C-O 121.462 0.649 . . . . 0.0 110.794 -176.325 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' A' ' 62' ' ' SER . 22.1 t-20 -82.75 128.22 34.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -130.03 142.15 50.65 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.231 0.539 . . . . 0.0 111.185 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 15.7 p -116.54 88.81 2.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 3.0 ttmp? -55.42 -24.21 29.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.002 -174.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.4 -37.19 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 32.5 t -99.73 -38.06 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.5 9.4 41.15 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.419 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.507 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . . . -92.21 159.43 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.657 0.265 . . . . 0.0 111.006 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 19.5 p -161.59 143.4 11.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.001 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.688 HG23 ' HD2' ' A' ' 64' ' ' PRO . 1.6 p -149.98 156.69 38.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 63' ' ' VAL . 3.8 Cg_exo -42.1 128.15 4.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.883 2.389 . . . . 0.0 112.025 172.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -60.93 -23.54 65.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.569 -171.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 tp -93.03 35.03 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -157.45 131.69 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.2 m -67.22 -51.09 57.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 113.528 174.177 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.572 0.225 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 162.66 14.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.457 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.01 -32.04 73.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.384 0.611 . . . . 0.0 110.135 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.11 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.723 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.597 ' HB3' HG21 ' A' ' 80' ' ' VAL . 72.1 m -80.79 122.13 81.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.886 0.374 . . . . 0.0 111.178 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.87 -15.41 48.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.047 2.498 . . . . 0.0 112.389 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.597 HG21 ' HB3' ' A' ' 78' ' ' CYS . 28.3 m -61.99 -30.05 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.39 -34.26 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 121.211 0.529 . . . . 0.0 109.916 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 86' ' ' ILE . 43.0 mm -70.18 -49.82 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.111 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' B' ' 33' ' ' ILE . . . -57.44 -41.94 81.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.95 -47.07 87.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.401 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.462 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.9 mt -60.71 -42.67 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.555 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.61 ' HB2' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -80.36 -6.39 57.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.81 0.338 . . . . 0.0 111.441 -176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.0 m -103.71 29.61 5.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.933 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -55.15 -39.57 69.61 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.65 0.738 . . . . 0.0 109.403 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 169.516 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.557 ' HB2' ' HE3' ' B' ' 22' ' ' MET . 2.8 p90 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 22' ' ' MET . 49.4 m-85 -73.1 161.58 30.46 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.378 175.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.514 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 42.5 tp60 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.593 0.558 . . . . 0.0 111.472 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.03 50.71 1.18 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.115 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.557 ' HE3' ' HB2' ' B' ' 18' ' ' TYR . 13.4 mmt -111.82 162.24 15.48 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 111.375 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.75 171.94 7.06 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.278 177.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.21 -25.07 61.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.224 0.535 . . . . 0.0 111.038 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -72.0 -13.14 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.732 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.405 ' O ' HG22 ' B' ' 30' ' ' VAL . . . -60.46 -38.45 84.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.541 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -74.8 -39.46 61.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.481 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 13.7 t70 -72.94 -27.59 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.179 0.514 . . . . 0.0 110.144 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.467 HG21 ' CE1' ' A' ' 19' ' ' PHE . 88.5 t -72.49 -40.57 63.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.924 172.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.577 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 11.5 ttm-85 -60.64 -34.97 75.06 Favored 'General case' 0 N--CA 1.461 0.09 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' B' ' 29' ' ' ASP . 16.8 tptm -52.11 -46.82 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.835 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 83' ' ' ALA . 39.2 mt -74.12 -45.58 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.418 ' HB1' HD21 ' B' ' 87' ' ' LEU . . . -63.86 -31.31 72.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.343 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.3 m -58.25 -30.58 66.67 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.4 71.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.397 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 18.8 mt -65.8 -41.79 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.39 -25.55 65.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.999 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -88.06 -54.08 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.0 88.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.226 1.013 . . . . 0.0 111.917 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -132.6 6.3 4.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.185 171.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -113.01 122.56 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.68 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 7.1 pt-20 -104.75 150.37 24.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.022 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 pt -99.52 114.89 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 121.351 0.596 . . . . 0.0 111.312 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -90.78 122.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.682 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -84.34 140.95 31.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.205 0.526 . . . . 0.0 110.737 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.404 ' OE1' ' HA3' ' B' ' 51' ' ' GLY . 39.8 mt-10 -80.91 135.77 35.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.315 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.15 -29.64 70.96 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 123.396 0.435 . . . . 0.0 110.532 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.66 -26.85 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.878 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.22 66.49 0.2 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . 0.404 ' HA3' ' OE1' ' B' ' 47' ' ' GLU . . . -162.92 -159.79 10.71 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.11 145.33 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.133 0.492 . . . . 0.0 111.415 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.62 142.07 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.089 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.708 HD22 ' HA ' ' B' ' 65' ' ' TRP . 31.6 m-80 -82.05 129.88 34.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 8.6 tt0 -152.21 142.02 21.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.249 0.547 . . . . 0.0 111.721 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.64 125.17 48.25 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 166.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.21 -3.3 3.74 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.741 HD23 ' HD2' ' B' ' 79' ' ' PRO . 10.2 mp -83.11 -3.87 57.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.499 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 65.2 m 74.31 21.67 2.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.081 0.552 . . . . 0.0 111.038 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . 0.506 ' HA2' ' HB1' ' B' ' 75' ' ' ALA . . . -79.04 -46.22 8.43 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.13 144.7 24.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 10.5 t -157.93 134.56 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.625 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.424 HG12 ' HA2' ' B' ' 69' ' ' GLY . 14.6 p -156.21 145.55 15.19 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.328 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.77 147.75 1.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.989 2.459 . . . . 0.0 112.153 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.708 ' HA ' HD22 ' B' ' 54' ' ' ASN . 0.5 OUTLIER -80.09 164.61 23.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.888 -175.463 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 71.81 11.93 6.25 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.646 0.591 . . . . 0.0 110.605 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.65 164.23 16.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.7 m -70.69 105.1 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.933 0.396 . . . . 0.0 110.751 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.424 ' HA2' HG12 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.5 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.574 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB1' ' HA2' ' B' ' 60' ' ' GLY . . . -104.45 117.14 33.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.07 -16.62 61.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.512 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.476 ' SG ' ' HB1' ' B' ' 75' ' ' ALA . 69.6 m -85.95 125.42 68.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.741 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.741 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.2 Cg_exo -57.54 -28.12 79.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.188 2.592 . . . . 0.0 112.952 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.416 HG23 HD21 ' B' ' 58' ' ' LEU . 61.7 t -64.35 -39.2 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.615 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.44 -40.14 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.442 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -75.75 -35.23 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.09 99.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.719 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 21.8 pttp -64.73 -28.07 69.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.576 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -75.57 -30.44 59.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.482 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.442 HG13 ' O ' ' B' ' 82' ' ' ILE . 70.9 mt -60.76 -50.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.444 176.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.577 ' HB2' ' HG3' ' B' ' 31' ' ' ARG . 4.6 pp -68.95 -18.08 64.03 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.401 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.5 m -85.35 -55.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.287 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 CA--C 1.534 0.328 0 O-C-N 123.779 0.674 . . . . 0.0 111.472 179.051 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -97.07 169.92 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -72.72 88.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.244 0.545 . . . . 0.0 112.381 -172.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -139.99 -85.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.13 69.46 1.34 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.9 tpt -73.97 145.48 44.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.358 . . . . 0.0 110.655 -172.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.74 0.4 20.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.917 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' B' ' 19' ' ' PHE . 35.6 t70 74.41 -41.73 0.48 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.764 0.826 . . . . 0.0 112.119 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -57.91 -16.68 12.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.107 0.48 . . . . 0.0 111.476 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 30' ' ' VAL . . . -57.45 -27.24 62.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.84 65.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.181 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 9.6 tp10 -61.14 -45.77 93.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.472 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.502 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 7.6 m-20 -77.7 -31.31 52.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 0.0 111.225 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 26' ' ' ALA . 67.9 t -69.25 -33.87 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 36.0 ptt180 -73.22 -27.94 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.816 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 93.5 mttt -58.28 -50.91 71.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.708 0.289 . . . . 0.0 110.465 174.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' B' ' 79' ' ' PRO . 40.0 pt -69.16 -29.69 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.544 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 83' ' ' ALA . . . -64.97 -32.7 74.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.582 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -76.49 -30.3 57.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.039 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.93 -26.55 68.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.338 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.46 -43.45 98.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.654 ' HA ' HG12 ' A' ' 42' ' ' ILE . 9.7 mp -70.25 -26.16 63.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.608 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.658 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -76.3 -18.68 58.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.728 ' HB ' ' HB2' ' B' ' 41' ' ' ALA . 21.0 p -117.36 -54.22 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 -20.14 54.72 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.897 0.38 . . . . 0.0 111.386 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.654 HG12 ' HA ' ' A' ' 38' ' ' LEU . 28.6 mm -93.43 105.98 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -133.02 135.81 45.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.747 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.657 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -89.98 122.38 41.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.016 -175.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.463 0.649 . . . . 0.0 109.353 173.236 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.657 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 60.1 t30 -82.68 106.92 14.93 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -110.65 137.11 48.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.679 0.752 . . . . 0.0 112.371 -170.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.6 p -98.3 132.52 43.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 168.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -85.92 -131.85 0.05 Allowed 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.413 HD13 HG21 ' B' ' 40' ' ' THR . 7.4 tp 67.06 -61.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.252 0.621 . . . . 0.0 111.366 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.52 -14.25 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.175 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.83 70.77 1.34 Allowed Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.722 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.94 144.63 50.95 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -100.65 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.099 0.476 . . . . 0.0 111.587 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.9 t -132.36 139.64 35.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.045 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.62 128.55 26.49 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.67 2.247 . . . . 0.0 112.002 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -64.52 -41.39 96.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.372 -174.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.92 32.53 0.74 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 111.975 -173.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -142.41 149.14 38.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.3 t -66.28 -7.48 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.532 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -177.669 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.1 m80 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.526 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -68.52 147.57 51.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.725 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.17 -17.98 64.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.212 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -89.4 -1.6 58.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.58 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 75' ' ' ALA . 95.7 m -83.5 124.7 75.3 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.289 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 31.1 Cg_exo -62.52 -17.44 58.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.127 2.552 . . . . 0.0 112.265 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.07 -31.02 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.993 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 54.7 t -63.04 -40.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.34 -45.81 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.553 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . . . -58.49 -38.88 78.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.254 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -66.21 -38.92 89.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 79.4 mt-30 -58.38 -43.93 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.25 -49.45 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.536 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 4.4 pp -72.18 -16.05 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.432 -177.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.5 m -77.39 -37.63 51.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.656 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t 61.1 28.63 18.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.65 0.738 . . . . 0.0 109.73 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.415 -170.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 64.1 m-85 -84.65 7.55 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -72.61 -25.05 61.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.372 0.606 . . . . 0.0 110.168 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.2 118.66 0.66 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.1 mtt -117.47 179.52 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 0.0 111.289 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -125.11 -179.02 4.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.174 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.34 -46.35 87.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.808 -173.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 -16.68 64.51 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.425 ' O ' HG21 ' B' ' 30' ' ' VAL . . . -61.59 -31.3 71.35 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.788 0.328 . . . . 0.0 111.344 -177.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.27 69.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.352 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.1 -40.14 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.24 -31.99 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.496 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.425 HG21 ' O ' ' B' ' 26' ' ' ALA . 62.1 t -62.24 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.224 0.535 . . . . 0.0 109.837 173.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.49 -40.23 95.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.315 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.1 -47.01 68.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.569 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.62 -38.65 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 111.627 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.56 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.454 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -74.69 -29.56 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.692 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.517 ' O ' HG23 ' B' ' 40' ' ' THR . . . -55.23 -41.35 71.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.133 0.492 . . . . 0.0 109.769 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.62 HD21 HG12 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -54.84 -51.81 64.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.883 174.473 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HG ' HD11 ' B' ' 42' ' ' ILE . 8.0 tt -62.19 -31.01 71.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.219 0.533 . . . . 0.0 110.888 -176.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -85.05 -47.53 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.517 HG23 ' O ' ' B' ' 36' ' ' ALA . 11.0 t -107.27 -7.17 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -171.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.728 ' HB2' ' HB ' ' A' ' 40' ' ' THR . . . -110.59 -9.15 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.986 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.471 HD11 ' HG ' ' B' ' 38' ' ' LEU . 55.5 mt -103.65 140.74 20.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.506 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -115.86 138.13 51.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.558 -177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.94 128.48 61.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.598 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.554 HG22 ' HB2' ' B' ' 53' ' ' HIS . 6.8 m -100.81 105.99 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.526 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.6 p -108.76 139.72 43.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.096 -172.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.7 170.88 15.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.436 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.18 -71.78 0.11 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.441 0.639 . . . . 0.0 111.05 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -115.3 -2.71 12.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.352 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.37 -124.28 0.81 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.399 -177.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.62 -149.98 13.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.786 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -145.46 145.61 31.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.554 ' HB2' HG22 ' B' ' 45' ' ' VAL . 55.9 m-70 -119.66 110.75 17.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.285 0.564 . . . . 0.0 110.419 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' B' ' 62' ' ' SER . 35.9 t30 -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.662 ' HG2' ' HB3' ' B' ' 62' ' ' SER . 42.8 mt-30 -102.75 117.37 34.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.7 112.48 6.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -82.97 72.29 10.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -170.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -178.99 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.886 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.9 t -94.91 -15.62 23.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.22 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.94 30.92 62.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.21 135.97 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.662 ' HB3' ' HG2' ' B' ' 55' ' ' GLN . 38.9 p -125.76 146.35 49.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.481 . . . . 0.0 111.467 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -130.86 143.49 49.59 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.952 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.75 5.28 0.28 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.184 2.59 . . . . 0.0 113.84 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 56.4 t-105 75.73 -52.63 0.63 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.507 0.723 . . . . 0.0 112.54 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' B' ' 66' ' ' LEU . 3.9 mm? -57.46 -39.18 75.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.61 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -178.95 148.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.711 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.582 175.662 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . 0.467 ' CD2' HG13 ' B' ' 81' ' ' VAL . 7.5 p-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.3 124.58 28.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 165.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -80.21 1.87 26.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.502 0.668 . . . . 0.0 111.137 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.52 1.33 53.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.818 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.06 123.65 56.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.615 ' HB2' HG22 ' A' ' 33' ' ' ILE . 19.2 Cg_endo -60.43 -30.13 90.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.034 2.489 . . . . 0.0 112.414 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.62 HG12 HD21 ' B' ' 37' ' ' LEU . 60.1 t -59.69 -30.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 110.682 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.467 HG13 ' CD2' ' B' ' 74' ' ' HIS . 89.4 t -72.83 -51.39 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.02 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 86' ' ' ILE . 1.3 pp -65.17 -32.17 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.2 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.446 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 99.1 mttt -64.03 -38.27 90.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.174 0.512 . . . . 0.0 110.275 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.92 -34.47 77.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.28 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.8 mt -75.37 -42.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.4 pp -76.48 5.56 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -173.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.6 t -67.36 175.55 2.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.498 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -174.072 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.217 0.532 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -99.54 23.62 9.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 122.087 0.946 . . . . 0.0 109.73 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.601 ' HB3' ' HB1' ' B' ' 26' ' ' ALA . 89.5 m-85 -79.84 19.26 0.7 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.594 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -71.66 -46.89 57.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.96 144.59 12.8 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.566 ' HE2' ' HA ' ' A' ' 19' ' ' PHE . 22.3 mmt -117.77 -179.44 3.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.072 0.436 . . . . 0.0 110.858 -177.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -157.99 -167.74 2.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -44.51 -63.33 0.92 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.192 0.997 . . . . 0.0 113.256 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -70.47 -23.14 62.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.717 -171.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.53 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.952 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -51.25 61.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.361 -177.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.4 -35.43 79.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.657 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.52 -46.04 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.037 0.446 . . . . 0.0 110.307 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.77 -36.96 77.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.186 0.517 . . . . 0.0 110.089 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.621 ' HZ1' ' HB2' ' A' ' 32' ' ' LYS . 4.5 ttmp? -62.37 -55.4 28.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.18 -35.06 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.54 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.37 93.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.016 0.436 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -69.13 -36.37 77.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.15 -50.82 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.276 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 HD23 ' O ' ' B' ' 33' ' ' ILE . 4.2 pp -64.72 -32.83 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.04 -48.83 69.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -69.18 -17.93 63.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.87 -177.014 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 41' ' ' ALA . 5.8 m -96.56 -29.34 13.93 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.034 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 -18.58 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.81 100.14 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.986 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -143.57 152.07 40.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.298 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.3 pt -87.92 121.32 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.387 0.613 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.997 178.267 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.619 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 51.7 t-20 -90.84 106.48 18.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -122.91 119.74 31.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.419 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.3 p -70.94 119.83 15.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.305 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' B' ' 40' ' ' THR . 20.5 mtpp -77.59 4.39 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.481 HD21 HG22 ' A' ' 80' ' ' VAL . 12.3 tp -106.05 -10.62 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.4 m -145.59 -32.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.152 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -6.61 35.14 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.388 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.84 147.29 37.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.615 0.245 . . . . 0.0 110.676 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.2 m -114.13 147.87 38.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.59 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 10.0 p -137.76 154.18 74.51 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.59 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 65.3 Cg_exo -38.53 128.04 1.12 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.78 2.32 . . . . 0.0 112.638 170.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 5.0 p90 -65.7 163.89 15.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.133 -175.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 66' ' ' LEU . 1.9 tm? 76.6 -34.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.335 0.654 . . . . 0.0 111.297 174.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -77.4 173.69 11.66 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.732 0.301 . . . . 0.0 111.218 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.4 t -71.98 -17.74 62.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.95 -178.032 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.382 0.611 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 78' ' ' CYS . . . -70.29 151.7 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.283 170.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.4 -43.08 99.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.995 0.426 . . . . 0.0 111.59 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -104.38 15.62 27.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.502 -174.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 50.0 t -54.66 124.6 50.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.011 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.518 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . 52.4 Cg_exo -54.52 -31.63 70.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.34 2.693 . . . . 0.0 113.296 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG22 HD21 ' A' ' 58' ' ' LEU . 85.0 t -59.71 -40.09 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.11 0.481 . . . . 0.0 110.549 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 t -67.97 -41.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.179 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.93 -48.35 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.76 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.723 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.05 -40.04 94.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.441 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -61.92 -45.56 93.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.41 -46.38 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.14 -14.43 61.82 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.678 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 m -90.53 -29.3 17.96 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.366 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p 59.57 164.54 0.05 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 112.593 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 . . . . . 0 N--CA 1.468 0.426 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.5 178.792 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.102 0.477 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.697 ' HA ' ' HE3' ' B' ' 22' ' ' MET . 99.1 m-85 -58.96 -29.07 66.89 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.73 -15.44 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.715 0.293 . . . . 0.0 111.624 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.92 -64.34 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.507 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.697 ' HE3' ' HA ' ' B' ' 19' ' ' PHE . 18.3 mmt 69.1 160.32 0.19 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.689 0.796 . . . . 0.0 112.36 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' B' ' 24' ' ' ASP . 12.2 t -158.29 39.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.945 0.878 . . . . 0.0 110.072 -174.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' B' ' 23' ' ' THR . 21.4 t70 79.35 -33.93 0.15 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.27 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -56.92 -17.94 11.49 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' SD ' ' B' ' 22' ' ' MET . . . -56.75 -35.56 68.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.432 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.89 68.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.472 . . . . 0.0 110.643 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -49.81 11.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.788 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -62.49 -39.76 94.52 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.17 -41.59 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.428 . . . . 0.0 110.406 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -37.74 86.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 0.0 110.025 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 35.6 ttmt -57.5 -55.51 33.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.329 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' HB3' ' A' ' 79' ' ' PRO . 36.5 pt -69.18 -32.88 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.37 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -65.91 -44.56 84.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -58.57 -29.03 66.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.535 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -43.46 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.062 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.651 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.5 pp -77.37 -24.56 50.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 0.0 110.809 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.9 -32.43 65.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.569 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.38 -58.07 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.451 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 3.3 t -176.18 85.51 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.065 0.936 . . . . 0.0 110.946 177.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.651 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.48 -27.95 14.2 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.181 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.2 mt -87.54 155.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.54 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.1 146.4 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.79 -174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.543 HG22 ' HB1' ' B' ' 52' ' ' ALA . 9.2 mm -98.75 117.4 43.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.013 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' B' ' 53' ' ' HIS . 17.5 m -99.41 120.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.4 m -95.31 141.37 28.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.257 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.44 160.6 14.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.612 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.73 -40.68 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.594 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -57.15 -51.8 67.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.128 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.65 70.37 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.771 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.36 -175.04 47.14 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -151.12 171.29 17.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.581 0.229 . . . . 0.0 110.546 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.424 ' HB2' HG23 ' B' ' 45' ' ' VAL . 90.5 m-70 -137.47 137.11 38.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.431 ' HB3' HG11 ' B' ' 63' ' ' VAL . 61.0 t30 -117.86 105.29 11.79 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -114.17 127.41 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 111.705 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.5 t -86.3 112.87 21.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.875 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.4 OUTLIER -75.57 -21.15 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.356 . . . . 0.0 111.047 -170.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -84.54 -21.54 30.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -111.54 -30.11 7.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.36 6.95 73.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.615 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.32 138.81 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.643 0.258 . . . . 0.0 110.438 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -127.53 133.6 49.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' B' ' 67' ' ' GLN . 4.7 p -129.24 122.08 20.88 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.02 92.85 0.72 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.245 1.963 . . . . 0.0 113.56 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 15.9 t90 51.82 -93.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.751 171.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.69 94.64 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.535 0.683 . . . . 0.0 110.84 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.469 ' HB3' ' CG2' ' B' ' 63' ' ' VAL . 7.4 tp-100 -141.41 168.22 20.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.392 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -47.67 78.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.68 0.276 . . . . 0.0 111.381 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.434 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.085 170.688 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 p80 . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.88 117.0 29.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.754 175.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.511 ' HA ' HG22 ' B' ' 81' ' ' VAL . 74.8 m-20 -80.77 -7.54 59.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.769 -172.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.2 -1.34 32.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 70.7 m -90.65 136.04 28.46 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.96 -21.09 56.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.196 2.597 . . . . 0.0 112.765 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.06 -30.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' B' ' 76' ' ' ASP . 60.3 t -73.29 -34.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 109.914 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.471 ' O ' HG13 ' B' ' 86' ' ' ILE . 41.1 mm -57.86 -47.35 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.872 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.71 78.06 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.104 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.47 -38.78 81.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.325 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.54 -34.04 60.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 82' ' ' ILE . 71.4 mt -65.67 -44.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.62 -1.67 32.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.201 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -96.11 19.44 11.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.468 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.166 0.508 . . . . 0.0 111.398 -179.093 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.213 0.53 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -81.12 179.22 7.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.102 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.526 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 97.5 m-85 -54.2 152.09 6.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 8.7 tt0 76.02 6.78 3.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.034 0.834 . . . . 0.0 110.071 -175.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.58 64.87 0.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.786 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.526 ' SD ' ' HA ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -106.9 129.85 54.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 -178.057 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -103.89 -68.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.101 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -161.96 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -59.85 -22.58 62.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.38 -20.72 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.233 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HA ' ' CZ ' ' B' ' 19' ' ' PHE . . . -72.79 -29.2 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.066 0.46 . . . . 0.0 110.485 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -71.23 -33.28 69.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.917 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' HD11 ' B' ' 86' ' ' ILE . 22.1 t70 -73.52 -53.62 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.392 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.2 m -67.46 -32.99 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.754 -177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.726 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.1 ttp180 -68.35 -30.17 69.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.258 0.551 . . . . 0.0 109.87 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 21.0 ttmm -69.6 -50.4 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.614 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.497 HD11 HD13 ' B' ' 86' ' ' ILE . 31.0 pt -65.73 -33.55 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.729 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.73 82.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.241 0.543 . . . . 0.0 110.724 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -74.76 -38.99 62.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.9 94.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.925 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.627 ' HA ' HG22 ' A' ' 40' ' ' THR . 4.6 pp -66.74 -24.9 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.49 -31.95 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.692 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.0 -16.87 39.38 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.372 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.0 t -97.54 -17.0 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.566 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.21 -14.54 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.767 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.2 mm -112.94 91.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.916 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.82 152.36 49.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.417 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 tt -126.95 122.27 59.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.643 0.735 . . . . 0.0 111.598 -174.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' A' ' 53' ' ' HIS . 2.5 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.006 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.505 ' HB2' HG22 ' A' ' 45' ' ' VAL . 78.7 m-70 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.521 0.2 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.569 ' H ' ' CG2' ' A' ' 63' ' ' VAL . 6.8 t30 -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -107.22 113.64 27.19 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.45 0.643 . . . . 0.0 110.983 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.893 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 43.1 t -99.79 89.09 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.23 23.85 9.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.498 -171.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -74.24 -48.75 26.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.9 p -115.04 -53.08 2.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.104 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.12 69.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.391 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.893 ' HB3' ' HB3' ' A' ' 56' ' ' CYS . . . -117.7 159.04 23.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.591 0.234 . . . . 0.0 110.584 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -100.31 -169.95 1.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 111.429 -174.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.569 ' CG2' ' H ' ' A' ' 54' ' ' ASN . 1.5 p -96.13 119.54 64.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.152 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -88.24 6.4 4.89 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.271 2.647 . . . . 0.0 113.068 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.409 ' H ' HG22 ' A' ' 63' ' ' VAL . 33.0 t-105 -75.18 -151.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.57 65.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.408 0.623 . . . . 0.0 110.819 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -164.76 150.03 9.82 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -74.82 81.98 2.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.771 176.096 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.06 -0.019 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 78' ' ' CYS . . . 77.04 132.24 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.328 1.017 . . . . 0.0 110.331 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.11 -20.9 55.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.1 14.56 23.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.35 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.562 ' SG ' HG21 ' A' ' 80' ' ' VAL . 32.1 p -66.93 158.72 79.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.81 -26.36 15.88 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.945 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.562 HG21 ' SG ' ' A' ' 78' ' ' CYS . 29.7 m -67.82 -30.57 48.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' SG ' ' A' ' 78' ' ' CYS . 15.8 m -64.51 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.775 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 86' ' ' ILE . 51.9 mm -68.41 -44.87 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.064 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.23 87.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.95 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -63.59 -37.48 87.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.477 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.01 -37.78 84.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 82' ' ' ILE . 71.5 mt -70.54 -42.13 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.498 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.726 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -73.84 -17.37 61.07 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -78.72 -32.71 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.387 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 48.7 m 62.63 -174.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.375 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 89' ' ' SER . 68.5 mtp180 . . . . . 0 N--CA 1.466 0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.358 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--O 1.235 0.327 0 CA-C-O 122.148 0.975 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 27' ' ' ALA . 97.3 m-85 69.35 178.98 0.25 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.135 -176.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.66 -62.67 0.18 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.278 0.631 . . . . 0.0 109.958 -166.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.4 87.39 0.61 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.403 ' HE1' ' HB1' ' B' ' 26' ' ' ALA . 3.8 tpt -134.23 125.6 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 11.8 t -123.98 -171.18 2.27 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.84 -54.42 15.3 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.708 1.203 . . . . 0.0 114.027 -173.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.41 -1.39 10.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.403 ' HB1' ' HE1' ' B' ' 22' ' ' MET . . . -80.36 -23.21 40.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.224 0.535 . . . . 0.0 109.933 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.89 -26.63 66.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.569 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -51.82 -53.04 44.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.3 -44.43 52.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.855 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.79 -42.42 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' B' ' 87' ' ' LEU . 82.3 mtp180 -68.76 -30.27 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.076 -0.39 . . . . 0.0 110.789 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -65.47 -46.59 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.017 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.4 pt -65.96 -32.82 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.33 -32.91 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.219 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -73.81 -30.48 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 0.0 110.813 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.33 86.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.882 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.99 -25.14 65.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 111.33 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' B' ' 84' ' ' LYS . 6.7 tt -77.75 -31.49 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.256 0.551 . . . . 0.0 109.546 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -76.93 -51.8 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.5 t -154.96 82.03 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.016 0.912 . . . . 0.0 112.015 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.1 17.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.52 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.403 HG21 ' OD1' ' B' ' 54' ' ' ASN . 39.9 mt -123.96 126.45 72.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.419 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -106.64 166.97 10.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.279 0.561 . . . . 0.0 111.784 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.512 HD11 ' O ' ' B' ' 44' ' ' ILE . 1.8 pp -111.63 134.78 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.697 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 m -104.8 121.37 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.262 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 5.0 m -102.52 124.24 47.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.05 0.452 . . . . 0.0 111.842 -172.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.83 133.46 44.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.883 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.6 -40.37 78.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.095 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -116.2 116.32 27.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.431 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -63.77 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.091 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.78 175.1 14.06 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -91.72 127.12 37.06 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.823 0.344 . . . . 0.0 110.086 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.534 ' HB3' ' HB2' ' B' ' 62' ' ' SER . 87.2 m-70 -107.53 126.14 52.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.834 -176.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.403 ' OD1' HG21 ' B' ' 42' ' ' ILE . 5.7 t-20 -87.09 105.95 17.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 174.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.74 120.02 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 112.143 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.5 t -74.74 108.64 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.794 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -60.8 -35.17 75.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.937 -175.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.47 HD12 ' HG2' ' B' ' 79' ' ' PRO . 95.3 mt -96.38 8.32 44.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.4 t -134.5 -27.08 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.58 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.66 48.7 7.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.369 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.8 138.79 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' B' ' 53' ' ' HIS . 2.2 p -113.53 137.98 50.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.025 0.441 . . . . 0.0 111.598 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.64 144.92 45.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.287 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -42.81 140.98 2.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.253 2.635 . . . . 0.0 112.889 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 13.4 p-90 -65.28 174.67 1.98 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp 80.36 -31.05 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.815 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -92.84 173.86 7.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.713 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.5 m -84.43 137.55 33.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.694 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.464 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.241 -177.584 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 120.954 0.407 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 147.24 42.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.662 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.0 -13.35 60.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.78 0.8 . . . . 0.0 108.986 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.17 -5.66 58.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.543 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.482 ' SG ' HG22 ' B' ' 81' ' ' VAL . 16.3 p -92.54 144.19 28.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 -174.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.47 ' HG2' HD12 ' B' ' 58' ' ' LEU . 21.1 Cg_endo -62.95 -16.93 57.35 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.03 2.487 . . . . 0.0 112.818 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.433 HG21 ' HB2' ' B' ' 58' ' ' LEU . 60.5 t -58.94 -46.5 91.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.19 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.482 HG22 ' SG ' ' B' ' 78' ' ' CYS . 94.9 t -65.16 -40.63 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.3 mm -59.04 -50.32 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.243 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.37 -51.88 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.666 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 56.3 pttt -71.07 -26.74 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 111.447 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -61.0 -39.8 91.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.56 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.497 HD13 HD11 ' A' ' 33' ' ' ILE . 77.6 mt -74.99 -43.3 45.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.671 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.666 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -67.06 -16.46 64.36 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.849 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.1 m -85.78 96.32 9.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.047 -175.673 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.83 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.899 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.83 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HG3' ' NH1' ' A' ' 31' ' ' ARG . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 1.104 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.783 HD12 HD21 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.713 HG23 HG21 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.547 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.655 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 27.4 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.626 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.655 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.503 ' HA ' HG23 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.484 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.608 HG12 ' HB2' ' B' ' 29' ' ' ASP . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB3' HG23 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.758 ' HD2' HD12 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 1.104 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.449 ' HG2' ' HB1' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.899 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.608 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.416 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.416 ' HB3' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.733 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.733 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.713 HG21 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.476 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.611 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.123 0.487 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.466 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.508 ' HB2' HG21 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG21 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.586 HG11 HD11 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.51 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -169.6 173.25 6.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.092 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.33 71.78 3.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.911 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' HA ' HG21 ' B' ' 23' ' ' THR . 39.5 mt-30 -123.91 -5.4 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.251 0.548 . . . . 0.0 109.716 168.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.58 84.2 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.7 mmt -73.08 137.32 45.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.279 0.561 . . . . 0.0 112.113 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -78.53 169.64 17.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.0 -32.75 74.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.986 0.422 . . . . 0.0 111.015 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -61.62 -28.48 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.672 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -30.17 68.37 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.135 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -68.64 -28.24 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -79.89 -39.93 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.77 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -64.88 -49.98 68.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.27 -31.78 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.128 0.489 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 24.9 ttt85 -61.27 -36.4 79.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.57 -37.99 65.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.869 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.29 -44.63 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.676 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' HD21 ' A' ' 87' ' ' LEU . . . -61.34 -32.07 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.341 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.8 m -67.13 -32.75 74.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.461 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.5 pp -65.25 -24.94 67.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.58 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.615 HD13 HD22 ' A' ' 87' ' ' LEU . 87.2 mt -64.75 -34.53 78.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.093 0.473 . . . . 0.0 110.589 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -93.03 -54.87 3.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 p -88.87 -21.75 23.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -78.04 -12.61 60.0 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.601 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.3 mm -77.49 104.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.49 144.49 34.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.1 0.476 . . . . 0.0 111.241 -171.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 54' ' ' ASN . 42.6 mm -101.64 112.65 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.276 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 53' ' ' HIS . 7.7 m . . . . . 0 C--N 1.315 -0.893 0 CA-C-O 121.683 0.754 . . . . 0.0 109.084 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.544 ' HB2' HG22 ' A' ' 45' ' ' VAL . 77.3 m-70 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.467 0.175 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.586 ' HA ' HD12 ' A' ' 44' ' ' ILE . 48.4 t-20 -82.89 114.64 21.33 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -130.37 124.66 32.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.338 0.59 . . . . 0.0 112.188 -171.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.2 m -83.63 103.21 12.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -80.17 7.68 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 0.0 110.906 -173.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD23 HG23 ' A' ' 80' ' ' VAL . 10.9 tp -105.99 14.37 28.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.5 t -149.46 -41.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.264 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.89 -9.62 31.95 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.258 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.94 138.75 39.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.968 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 p -142.87 153.23 42.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.156 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 11.3 p -151.98 146.49 18.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 51.8 Cg_exo -40.05 126.56 1.9 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.925 2.417 . . . . 0.0 112.202 170.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -63.95 -24.58 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.645 -172.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.1 tp -92.81 13.87 19.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.608 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -148.58 -87.59 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.23 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.491 ' H ' HG23 ' A' ' 68' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.714 -176.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.83 40.4 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 169.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -75.63 -4.66 41.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.009 0.433 . . . . 0.0 111.408 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.18 -13.28 53.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.956 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 p -77.56 150.17 79.03 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.758 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.657 ' HB2' HG23 ' B' ' 33' ' ' ILE . 48.8 Cg_endo -68.92 -3.75 12.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.943 2.429 . . . . 0.0 113.306 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.483 HG23 HD23 ' A' ' 58' ' ' LEU . 48.4 t -63.02 -33.72 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.12 0.486 . . . . 0.0 110.4 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 43.6 t -61.62 -47.25 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.472 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.33 -41.24 91.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.401 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.81 93.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -61.0 -38.8 87.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.323 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 96.4 mt-30 -60.08 -45.56 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.757 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.3 -52.21 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.278 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 38' ' ' LEU . 4.2 pp -70.06 -18.82 63.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.437 -176.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -83.07 -41.4 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m 61.45 24.03 14.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.709 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.72 -176.37 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' B' ' 22' ' ' MET . 63.4 t80 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 120.534 0.207 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.1 149.88 14.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 111.734 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 61.87 89.4 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.273 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.67 -56.94 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 11.1 ptp -65.92 125.34 25.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.479 HG21 ' HA ' ' A' ' 20' ' ' GLN . 31.9 m -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.361 -170.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.21 -54.53 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -79.02 -5.26 53.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.614 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.91 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.154 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.28 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.325 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.7 OUTLIER -63.05 -51.33 67.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.86 -174.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.693 ' HA ' ' HZ3' ' B' ' 32' ' ' LYS . 30.1 m-20 -76.35 -40.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -176.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.88 -37.61 78.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.046 0.45 . . . . 0.0 110.527 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -63.45 -40.89 98.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.693 ' HZ3' ' HA ' ' B' ' 29' ' ' ASP . 38.0 mtmm -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.867 -175.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.657 HG23 ' HB2' ' A' ' 79' ' ' PRO . 38.1 pt -75.67 -33.27 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.87 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -71.34 -32.23 68.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.436 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 75.6 m -61.24 -31.05 70.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.163 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.14 73.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.384 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' B' ' 83' ' ' ALA . 4.4 pp -72.46 -24.52 61.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 110.608 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.696 ' HA ' ' HE2' ' B' ' 84' ' ' LYS . 9.6 tt -68.05 -38.87 82.95 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.997 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.2 OUTLIER -70.44 -57.23 5.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.908 -178.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.403 ' HG1' ' C ' ' B' ' 39' ' ' LYS . 6.2 m -161.33 84.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.98 -21.23 64.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' B' ' 56' ' ' CYS . 1.3 mt -126.72 -156.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -173.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.454 ' H ' HG23 ' B' ' 42' ' ' ILE . 41.3 mt-10 -103.43 142.56 34.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 0.0 111.747 -170.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.847 HD11 ' HB3' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -130.43 115.12 30.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.482 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.8 m -87.35 142.84 27.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.328 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.84 ' HG2' ' H ' ' B' ' 51' ' ' GLY . 0.0 OUTLIER -83.13 -175.56 5.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.534 0.683 . . . . 0.0 111.702 178.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.26 -23.22 14.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.61 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -165.87 101.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.786 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.18 -85.6 0.1 OUTLIER Glycine 0 C--N 1.317 -0.525 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.363 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . 0.84 ' H ' ' HG2' ' B' ' 47' ' ' GLU . . . 178.65 147.53 7.1 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.847 ' HB3' HD11 ' B' ' 44' ' ' ILE . . . -65.71 124.39 22.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.084 0.469 . . . . 0.0 110.735 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -132.47 138.64 47.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.739 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -91.46 133.32 35.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -108.74 104.45 13.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.909 ' HA ' HD11 ' B' ' 42' ' ' ILE . 73.4 m -78.11 86.56 4.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -60.84 -33.27 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.198 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 25.3 p -107.68 -29.58 9.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.482 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.55 33.06 7.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.26 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.12 155.2 31.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.649 0.261 . . . . 0.0 110.468 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -119.85 140.91 50.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.758 HG22 ' HD2' ' B' ' 64' ' ' PRO . 4.6 p -146.71 155.72 48.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.758 ' HD2' HG22 ' B' ' 63' ' ' VAL . 75.0 Cg_exo -51.44 168.85 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.648 2.232 . . . . 0.0 113.291 172.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -73.62 164.3 26.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 81.7 mt 60.85 26.37 16.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 60.72 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.861 -172.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m 57.29 28.13 14.76 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.893 0.854 . . . . 0.0 109.68 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.486 ' HA3' HG23 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.441 -1.017 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.344 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 113.72 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.415 0.447 . . . . 0.0 109.84 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.534 ' HA ' HG23 ' B' ' 81' ' ' VAL . 82.3 m-20 -80.9 4.31 19.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.528 0.68 . . . . 0.0 110.45 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.42 -8.39 58.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.871 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.32 138.14 42.06 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.06 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.88 -15.54 47.98 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.496 . . . . 0.0 112.694 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.426 HG13 HD12 ' B' ' 37' ' ' LEU . 60.9 t -62.99 -36.16 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.534 HG23 ' HA ' ' B' ' 76' ' ' ASP . 44.0 t -71.91 -35.28 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.015 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.506 ' O ' HG13 ' B' ' 86' ' ' ILE . 25.3 mm -56.89 -50.64 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.532 ' HB3' HD11 ' B' ' 37' ' ' LEU . . . -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -177.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' B' ' 38' ' ' LEU . 84.0 mttt -63.34 -41.4 98.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.287 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -58.54 -42.41 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.947 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.4 mt -60.34 -50.65 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.383 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.9 -14.55 61.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 111.528 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.9 m -90.11 -4.39 57.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.329 -0.303 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.827 179.661 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' B' ' 89' ' ' SER . 76.7 t80 -135.38 158.88 43.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.312 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -63.48 93.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 178.73 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.49 53.23 0.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.488 175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.8 mmt -85.24 114.12 22.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.608 0.242 . . . . 0.0 110.425 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.9 p -101.92 -169.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.04 -42.09 65.39 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.377 0.671 . . . . 0.0 111.954 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 p -77.87 -9.69 59.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -22.26 65.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.129 0.49 . . . . 0.0 110.377 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 31' ' ' ARG . . . -63.14 -27.63 69.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.991 177.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -51.32 59.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -70.81 -37.38 73.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.1 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.11 -37.62 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.535 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 29.0 ptt180 -74.51 -29.08 61.26 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.4 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 34.1 ttmt -53.81 -43.72 69.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.242 0.544 . . . . 0.0 110.083 173.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.621 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 39.2 mt -62.66 -44.28 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.269 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.84 -32.34 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.076 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 61.5 m -58.29 -30.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB3' HD22 ' B' ' 58' ' ' LEU . . . -62.15 -47.2 85.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.011 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.743 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 pp -78.84 -24.73 44.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.35 -31.04 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.574 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 10.3 mtmp? -75.68 -41.8 52.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.461 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 m -152.56 -75.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.316 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 66.45 -65.18 0.2 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.42 0.688 . . . . 0.0 111.914 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.6 mt -53.15 147.4 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.762 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.26 145.93 30.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 111.134 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -111.4 126.94 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-O 121.346 0.593 . . . . 0.0 111.472 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 53' ' ' HIS . 9.9 m . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.54 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 83.6 m-70 . . . . . 0 CA--C 1.52 -0.198 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.38 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -126.24 138.3 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.521 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.2 t -91.81 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -10.79 59.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.455 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.584 HD21 ' HD2' ' A' ' 79' ' ' PRO . 10.3 tp -95.02 -26.94 15.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.026 -171.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.14 -19.28 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.516 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.59 11.22 64.34 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.922 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.96 132.9 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.886 0.343 . . . . 0.0 110.634 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.3 m -112.73 124.89 53.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.057 0.456 . . . . 0.0 111.405 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.56 136.91 19.88 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.54 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 1.5 Cg_endo -44.83 -59.35 1.17 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CD1' ' HG ' ' A' ' 66' ' ' LEU . 3.9 t-105 -179.76 -78.65 0.01 OUTLIER 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.777 0.673 . . . . 0.0 109.895 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.496 ' HG ' ' CD1' ' A' ' 65' ' ' TRP . 68.6 mt -109.66 95.43 5.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.387 0.613 . . . . 0.0 111.574 -177.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -132.51 -94.57 0.34 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 172.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -151.92 96.79 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.617 -169.119 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.0 m80 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . -96.09 143.11 27.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -72.47 -16.91 61.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.051 0.453 . . . . 0.0 111.156 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -108.33 4.11 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.869 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 19.6 p -82.42 134.95 47.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.816 -177.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.69 ' HA ' HG21 ' B' ' 33' ' ' ILE . 91.1 Cg_exo -47.4 -30.58 11.69 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.091 3.194 . . . . 0.0 113.903 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 46.9 t -54.73 -39.47 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 111.338 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.414 HG22 ' SG ' ' A' ' 78' ' ' CYS . 59.2 t -71.75 -44.64 68.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.051 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.84 -41.44 82.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.97 75.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.0 mttt -62.64 -43.56 98.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 177.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.43 -38.06 85.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.752 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.9 mt -72.5 -42.42 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 84' ' ' LYS . 4.5 pp -74.04 -15.96 61.06 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.462 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.7 m -77.6 83.75 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.921 0.391 . . . . 0.0 110.332 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.436 ' HA ' ' OH ' ' B' ' 18' ' ' TYR . 32.6 t -73.62 87.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.47 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.732 -179.556 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 89' ' ' SER . 10.9 p90 . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.614 ' HA ' ' HB2' ' B' ' 22' ' ' MET . 47.5 m-85 68.65 170.45 0.29 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.766 0.666 . . . . 0.0 111.209 -171.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 73.46 -48.03 0.67 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.558 0.743 . . . . 0.0 110.542 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.09 33.16 3.95 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.614 ' HB2' ' HA ' ' B' ' 19' ' ' PHE . 9.8 ttt -83.5 132.87 34.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.7 p -103.7 -175.6 2.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.37 -39.73 67.46 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.788 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -57.79 -20.79 37.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.472 ' HB1' ' HE2' ' B' ' 22' ' ' MET . . . -69.23 -28.99 66.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.378 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.16 73.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.723 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.62 -47.56 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.84 -27.05 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.641 0.258 . . . . 0.0 111.32 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.59 -38.07 75.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 172.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.691 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 89.3 mtt180 -65.21 -38.16 89.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.206 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.02 -55.25 35.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.363 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.69 HG21 ' HA ' ' A' ' 79' ' ' PRO . 31.5 pt -66.01 -38.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.397 -177.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -75.17 -39.49 60.28 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.0 m -62.06 -35.28 78.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.249 -0.282 . . . . 0.0 111.475 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.437 ' HB3' ' HG2' ' A' ' 79' ' ' PRO . . . -68.25 -44.33 75.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.985 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.875 ' HA ' ' HB3' ' B' ' 41' ' ' ALA . 4.5 pp -73.82 -29.08 61.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' B' ' 84' ' ' LYS . 9.1 tt -72.31 -37.75 68.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.073 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.998 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.4 OUTLIER -69.38 -57.81 4.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.733 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t -172.72 82.02 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.972 0.891 . . . . 0.0 111.933 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.875 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -97.21 -11.76 23.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.049 170.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.777 HD11 ' HG2' ' B' ' 57' ' ' LYS . 8.5 mm -98.08 -125.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.252 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -168.73 147.05 4.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.428 . . . . 0.0 110.44 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.631 ' HA ' ' HA ' ' B' ' 54' ' ' ASN . 8.1 tt -79.56 127.43 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.438 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.19 116.72 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.412 0.625 . . . . 0.0 110.078 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.7 m -91.8 145.82 24.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.863 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.94 151.58 27.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.879 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.32 -33.29 74.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.23 114.92 8.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.789 174.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.38 -92.49 0.17 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.145 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.62 -139.37 2.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.62 ' HB2' HD13 ' B' ' 44' ' ' ILE . . . -146.78 135.42 22.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -126.56 121.83 33.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.747 -174.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.631 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 59.0 t30 -82.45 112.63 19.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -99.12 149.76 22.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.593 -169.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.576 ' HA ' HG13 ' B' ' 42' ' ' ILE . 61.7 m -109.82 117.09 32.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.777 ' HG2' HD11 ' B' ' 42' ' ' ILE . 18.6 ptpt -75.19 7.16 3.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 36' ' ' ALA . 7.6 mp -109.85 -47.5 3.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 111.697 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 64.2 m -89.74 -9.15 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.98 44.28 97.63 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.78 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.15 163.55 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m -137.68 142.96 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.989 0.423 . . . . 0.0 111.184 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.403 HG11 ' HA2' ' B' ' 69' ' ' GLY . 7.6 p -108.32 130.42 22.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.535 ' HB2' ' CG ' ' B' ' 67' ' ' GLN . 45.4 Cg_exo -56.42 146.36 74.2 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.637 2.225 . . . . 0.0 112.604 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.45 138.07 57.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.288 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt 67.29 22.41 9.6 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.368 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.535 ' CG ' ' HB2' ' B' ' 64' ' ' PRO . 15.1 mm100 -83.95 -71.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 171.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.9 t -175.25 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.962 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.403 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.297 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.414 0.626 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.35 116.21 0.6 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.56 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -82.09 -10.72 59.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.33 0.586 . . . . 0.0 110.28 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.851 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 84.1 m -78.31 133.83 63.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.621 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.3 Cg_exo -56.62 -30.99 85.55 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.237 2.625 . . . . 0.0 112.981 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 24.7 m -69.68 -30.93 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.79 0.329 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -75.5 -47.2 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.481 ' O ' HG12 ' B' ' 86' ' ' ILE . 10.7 tp -61.16 -35.76 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.65 -43.45 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.071 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' B' ' 38' ' ' LEU . 92.6 mttt -61.5 -42.15 98.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.617 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.13 -27.28 65.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.35 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.481 HG12 ' O ' ' B' ' 82' ' ' ILE . 48.3 mm -74.3 -39.25 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.098 0.475 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.691 ' HB2' ' HG2' ' B' ' 31' ' ' ARG . 4.6 pp -89.03 -0.45 57.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.843 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.8 p -53.13 -55.24 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.741 -174.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 18' ' ' TYR . 9.2 t . . . . . 0 C--O 1.235 0.298 0 O-C-N 123.981 0.801 . . . . 0.0 110.31 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -117.28 159.89 21.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -62.62 -11.22 15.54 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.746 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -73.77 -34.71 64.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.864 0.364 . . . . 0.0 110.425 177.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.68 104.81 0.9 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.929 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.533 ' HE2' ' HG3' ' B' ' 22' ' ' MET . 23.8 mmt -91.02 109.25 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 0.0 111.348 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 p -91.94 -70.56 0.68 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.609 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.86 -36.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.839 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -74.95 9.08 2.08 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.88 67.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.602 . . . . 0.0 109.952 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.686 ' HA ' ' CE1' ' B' ' 19' ' ' PHE . . . -68.56 -28.63 67.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.171 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.78 -55.17 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 10.9 t70 -69.99 -38.36 75.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -173.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.61 -40.33 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.017 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 31' ' ' ARG . 24.4 ttt85 -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 37.0 ttmt -53.92 -42.54 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.087 174.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.943 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 42.3 mt -70.04 -46.99 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.731 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -59.98 -32.48 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.012 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.453 ' HA ' HD22 ' A' ' 38' ' ' LEU . 67.4 m -55.03 -29.3 57.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.892 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.89 71.52 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.726 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 3.9 pp -74.19 -23.85 59.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.941 0.4 . . . . 0.0 110.958 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 35' ' ' THR . 3.2 mm? -73.63 -25.86 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.108 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.56 -58.15 3.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 -177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.6 p -137.79 -69.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.726 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . 68.87 -60.93 0.43 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.009 0.818 . . . . 0.0 112.028 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.4 mt -73.22 142.35 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.203 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -110.73 151.32 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.728 177.022 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.3 pt -102.09 118.79 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 53' ' ' HIS . 21.4 t . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 93.9 m-70 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -91.23 105.47 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -117.91 143.79 46.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.654 -170.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.546 ' CB ' ' HB2' ' A' ' 59' ' ' CYS . 62.3 m -91.92 111.82 23.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.939 172.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.65 ' HZ1' ' HB2' ' A' ' 57' ' ' LYS . 4.7 ttmp? -40.29 -50.75 2.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -171.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -129.83 7.53 5.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 112.166 -173.099 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.546 ' HB2' ' CB ' ' A' ' 56' ' ' CYS . 74.1 m -85.57 -5.55 59.27 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.33 44.8 84.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.914 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.76 138.13 19.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.973 0.416 . . . . 0.0 111.443 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -140.96 130.63 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.35 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.11 143.28 48.73 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 67' ' ' GLN . 84.1 Cg_exo -46.84 136.86 16.72 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.858 2.372 . . . . 0.0 112.351 173.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -58.37 127.81 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.623 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt 71.96 8.51 6.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.398 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.32 -42.2 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.0 p -144.21 -76.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 111.277 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.955 -178.453 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . . . -99.41 143.06 30.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -103.81 -22.25 13.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.066 0.46 . . . . 0.0 110.909 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.56 -0.65 51.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.637 0.732 . . . . 0.0 110.414 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 21.5 p -74.51 150.12 86.73 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.196 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.569 ' HB3' ' HG2' ' B' ' 32' ' ' LYS . 47.9 Cg_endo -69.26 -9.79 27.23 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.743 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG21 HD22 ' A' ' 58' ' ' LEU . 60.4 t -62.1 -38.6 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.283 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 48.4 t -62.93 -46.28 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.024 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.4 mm -58.08 -46.64 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.735 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -43.38 80.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -61.43 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.806 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 47.0 mt-30 -62.74 -38.78 91.87 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 82' ' ' ILE . 69.4 mt -61.82 -55.2 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.566 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.8 -18.56 63.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.326 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.7 m -81.36 -40.51 23.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.623 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m 62.37 16.47 8.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.624 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.874 -177.372 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.45 ' O ' ' HB2' ' B' ' 19' ' ' PHE . 17.7 t80 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.686 ' CE1' ' HA ' ' A' ' 27' ' ' ALA . 19.8 m-85 74.7 130.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.973 0.796 . . . . 0.0 111.206 -175.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 70.28 -67.4 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.183 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 41.88 3.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.707 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.599 ' SD ' ' HA ' ' B' ' 19' ' ' PHE . 14.5 ptm -111.87 123.64 50.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.687 0.756 . . . . 0.0 110.382 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 60.8 m -138.47 136.14 35.89 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.389 -171.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 66.49 -75.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.971 0.795 . . . . 0.0 112.764 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -73.55 -4.48 34.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.703 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' HE3' ' B' ' 22' ' ' MET . . . -53.73 -37.79 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.681 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.96 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.81 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.87 -43.16 25.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -64.41 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.29 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.89 -32.37 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.297 0.57 . . . . 0.0 110.031 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.13 -31.32 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.019 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 79' ' ' PRO . 50.1 tttp -56.94 -54.37 47.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.526 HG22 ' HB2' ' A' ' 79' ' ' PRO . 34.6 pt -72.82 -31.8 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.685 ' HB3' HD23 ' B' ' 87' ' ' LEU . . . -63.65 -30.16 71.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.643 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -54.58 -35.45 63.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.55 97.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.36 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.569 ' HB2' HG13 ' B' ' 80' ' ' VAL . 3.9 pp -81.39 -23.26 37.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.973 0.416 . . . . 0.0 110.946 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.47 -38.04 68.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.77 -51.16 70.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.262 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -160.98 -37.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.747 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 37' ' ' LEU . . . 68.73 -64.37 0.32 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.76 HG13 ' HA ' ' B' ' 56' ' ' CYS . 12.5 mm -107.52 174.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.448 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.412 ' H ' HG22 ' B' ' 42' ' ' ILE . 2.7 pm0 -103.51 158.61 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 0.0 110.792 -176.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.439 HD11 ' O ' ' B' ' 44' ' ' ILE . 2.2 pp -117.42 143.34 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.248 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 m -112.92 128.0 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.914 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -89.65 138.31 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.762 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.94 102.18 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 54.33 -85.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.82 0.7 . . . . 0.0 111.664 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.17 9.49 0.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.7 . . . . 0.0 109.985 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.13 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.268 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.75 -155.55 8.92 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.957 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.476 ' HB1' ' HB2' ' B' ' 65' ' ' TRP . . . -145.85 155.15 42.71 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.796 0.331 . . . . 0.0 110.372 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -112.93 123.24 49.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.387 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.42 ' OD1' ' HB ' ' B' ' 42' ' ' ILE . 48.6 t-20 -91.58 113.82 26.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.16 100.76 8.84 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.76 ' HA ' HG13 ' B' ' 42' ' ' ILE . 22.0 p -51.66 123.67 10.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.673 0.749 . . . . 0.0 111.654 -171.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.402 ' HZ3' ' CD ' ' B' ' 43' ' ' GLU . 22.1 ttpt -78.69 44.95 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.61 -174.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.48 HD21 HG23 ' B' ' 80' ' ' VAL . 11.4 tp -158.08 -63.18 0.09 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.754 -172.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . 0.531 ' HB3' ' SG ' ' B' ' 56' ' ' CYS . 53.0 t -89.89 -37.98 14.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.568 -174.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.82 -1.03 45.06 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.579 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.09 148.46 26.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.723 -0.281 . . . . 0.0 110.308 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -116.27 146.08 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 8.0 p -130.78 136.21 28.56 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 177.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.402 ' HG2' HE21 ' B' ' 67' ' ' GLN . 25.1 Cg_endo -62.62 140.24 80.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.918 2.412 . . . . 0.0 113.018 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.478 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 22.5 t90 -57.91 146.2 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.591 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 88.6 mt 81.73 -20.81 0.34 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.999 0.919 . . . . 0.0 112.693 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.402 HE21 ' HG2' ' B' ' 64' ' ' PRO . 10.0 tt0 -103.01 91.95 4.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.622 -176.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 21.1 m 63.6 -77.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.461 174.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.441 -177.73 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.08 96.73 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.59 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.76 -23.13 65.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.85 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -77.2 -23.79 51.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.436 ' HB3' HD23 ' B' ' 58' ' ' LEU . 95.6 m -63.78 135.7 96.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.943 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 15.3 Cg_exo -33.49 -60.4 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.822 1 C-N-CA 125.44 4.094 . . . . 0.0 115.18 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' B' ' 37' ' ' LEU . 89.8 t -63.4 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 111.406 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.0 -41.69 59.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.483 ' O ' HG13 ' B' ' 86' ' ' ILE . 10.5 tp -66.62 -40.94 87.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.766 0.317 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.476 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -60.42 -38.73 85.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.15 -33.74 72.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' B' ' 82' ' ' ILE . 44.7 mt-30 -79.12 -33.51 44.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 82' ' ' ILE . 69.0 mt -62.38 -47.04 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.517 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.685 HD23 ' HB3' ' B' ' 34' ' ' ALA . 4.2 pp -72.11 -6.04 39.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.118 0.485 . . . . 0.0 111.148 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -103.42 -66.59 0.93 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.238 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.234 0.283 0 C-N-CA 123.765 0.826 . . . . 0.0 111.104 -176.126 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 C--O 1.238 0.456 0 CA-C-O 121.319 0.58 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.0 t80 60.82 -167.64 0.18 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.05 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' HZ ' ' HB ' ' B' ' 30' ' ' VAL . 96.5 m-85 -78.6 0.47 26.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -78.49 -48.69 14.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.27 68.61 0.53 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.001 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 mmt -64.73 136.06 56.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.113 0.482 . . . . 0.0 110.882 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -114.79 -171.3 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.474 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.94 -52.72 54.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.801 0.44 . . . . 0.0 112.143 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -79.17 10.34 3.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.069 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.25 -11.65 61.05 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.823 0.821 . . . . 0.0 109.737 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.53 57.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.54 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.411 ' CD ' ' HZ1' ' A' ' 32' ' ' LYS . 9.1 tm-20 -77.42 -48.37 17.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.565 -173.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.564 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 26.4 p-10 -81.69 -46.36 14.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 33' ' ' ILE . 84.4 t -63.3 -35.94 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -73.79 -28.88 61.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.806 -0.559 . . . . 0.0 111.352 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 40.6 mtmt -65.18 -39.81 93.4 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 30' ' ' VAL . 35.1 pt -64.13 -34.09 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . . . -75.08 -32.54 61.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.3 m -72.46 -30.1 64.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.857 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.66 -27.28 49.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.382 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.785 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 63.2 mt -60.45 -42.86 97.03 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.609 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.3 mp -77.27 -28.39 53.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.181 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.22 -52.64 38.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.439 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 7.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . -73.39 -22.57 60.22 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.345 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.3 mt -77.89 145.48 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.792 ' HG2' ' HB3' ' B' ' 43' ' ' GLU . 3.8 tp10 -105.82 157.91 17.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 112.323 -168.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.4 mm -117.42 114.59 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.167 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 53' ' ' HIS . 5.5 m . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 95.5 m-70 . . . . . 0 CA--C 1.514 -0.405 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -82.26 105.55 13.43 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 172.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 0.1 OUTLIER -106.86 116.44 31.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.1 0.476 . . . . 0.0 110.991 -168.296 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.72 90.38 8.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.876 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.741 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -73.92 9.46 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.395 -175.231 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' HB1' ' B' ' 36' ' ' ALA . 7.0 mp -106.57 15.11 26.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.417 ' HB2' ' HD2' ' A' ' 74' ' ' HIS . 30.6 t -155.77 -27.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.463 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.56 56.12 2.31 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.526 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.72 133.85 14.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.623 0.249 . . . . 0.0 110.444 -178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.52 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 65.2 p -120.31 152.53 37.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.553 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.6 p -141.46 137.96 17.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.661 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.75 141.07 11.94 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.803 2.335 . . . . 0.0 112.868 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.491 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 3.1 t-105 -69.03 160.8 30.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.187 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 3.3 mm? 74.17 -17.84 0.44 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.35 0.66 . . . . 0.0 111.471 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 65' ' ' TRP . 49.2 tt0 -82.15 2.67 30.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.162 0.506 . . . . 0.0 110.295 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.1 m 73.73 -53.43 0.69 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.553 ' HA2' HG11 ' A' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.681 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.671 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.417 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 13.4 t-80 . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 99.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.25 -14.04 60.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -160.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -89.48 -3.14 58.5 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.88 153.84 30.84 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.879 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.487 ' HA ' HG23 ' A' ' 82' ' ' ILE . 11.5 Cg_endo -54.52 -19.01 16.53 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.567 2.845 . . . . 0.0 113.775 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.76 -47.04 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.37 -39.56 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.769 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.487 HG23 ' HA ' ' A' ' 79' ' ' PRO . 11.1 tp -65.87 -35.87 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.095 0.474 . . . . 0.0 109.898 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -65.57 -39.78 92.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.24 173.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.43 -42.0 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.625 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.09 -43.23 99.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.592 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 82' ' ' ILE . 72.0 mt -62.3 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.32 -5.95 57.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.9 t -93.77 14.31 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -53.07 136.05 36.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.272 -167.549 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 70.87 163.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.65 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 61.93 16.92 8.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.542 0.687 . . . . 0.0 110.086 -166.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.67 149.45 5.81 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 7.1 mmt -150.38 157.7 43.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.931 0.365 . . . . 0.0 110.589 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -99.16 171.03 8.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.621 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.91 -41.0 99.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.977 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.614 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.22 67.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.566 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.53 -37.01 82.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 31' ' ' ARG . 8.8 tp10 -68.29 -44.67 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.87 -41.88 86.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.55 ' HB ' ' HZ ' ' A' ' 19' ' ' PHE . 92.5 t -72.41 -38.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.423 ' HD2' ' CD ' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -66.45 -29.86 70.08 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.786 176.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.423 ' CD ' ' HD2' ' B' ' 31' ' ' ARG . 12.5 mptt -64.86 -50.48 66.46 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -67.29 -32.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.753 0.311 . . . . 0.0 110.984 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.65 74.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -70.3 -30.63 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.485 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -55.12 -48.33 73.78 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -175.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.655 ' HA ' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.647 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.539 HD23 HD22 ' B' ' 87' ' ' LEU . 10.1 mp -80.07 -26.67 39.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 111.539 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -84.3 -58.2 2.85 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 11.6 t -136.04 -1.63 2.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.156 -0.617 . . . . 0.0 112.523 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.655 ' HB1' ' HA ' ' B' ' 37' ' ' LEU . . . -62.72 -31.23 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.395 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.423 HG22 ' O ' ' B' ' 55' ' ' GLN . 75.5 mt -93.41 115.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.225 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.792 ' HB3' ' HG2' ' A' ' 43' ' ' GLU . 4.2 tp10 -119.22 155.99 30.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 tt -103.67 129.12 56.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.54 127.82 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.02 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 37.2 m -89.63 161.27 16.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.104 0.478 . . . . 0.0 111.66 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -90.81 -157.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.91 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.98 -50.27 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.081 0.467 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -154.79 -26.44 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.133 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.51 -35.34 91.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.446 -0.407 . . . . 0.0 114.073 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.76 -149.51 13.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.897 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -144.85 168.33 20.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.65 0.262 . . . . 0.0 110.499 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -130.12 113.98 15.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 110.368 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.63 116.76 24.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 42' ' ' ILE . 10.6 pt20 -111.36 115.87 30.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.339 0.59 . . . . 0.0 111.92 -171.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 80.5 m -80.85 91.2 5.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.473 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -54.9 -46.3 74.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.795 -171.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.41 -13.91 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 26.3 m -102.58 -27.59 12.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.783 0.325 . . . . 0.0 110.501 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.17 34.73 22.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.044 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.54 135.82 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.753 0.311 . . . . 0.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -117.25 145.74 43.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.946 0.403 . . . . 0.0 110.597 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 12.7 p -135.5 137.11 25.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.502 ' HG2' ' HB2' ' B' ' 67' ' ' GLN . 6.4 Cg_endo -50.88 158.03 3.36 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.633 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -41.38 -64.64 0.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.939 0.896 . . . . 0.0 111.881 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mp -123.63 92.12 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.352 0.596 . . . . 0.0 111.307 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.502 ' HB2' ' HG2' ' B' ' 64' ' ' PRO . 22.1 tt0 -127.06 -54.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.796 172.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.435 HG23 HE21 ' B' ' 67' ' ' GLN . 14.5 t 174.11 152.66 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.871 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 120.365 -0.921 . . . . 0.0 111.543 176.627 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' B' ' 78' ' ' CYS . . . -78.68 134.44 37.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.3 174.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.86 -23.16 58.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.12 0.486 . . . . 0.0 110.732 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.14 -0.53 41.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.573 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' B' ' 75' ' ' ALA . 17.8 p -74.97 154.59 86.77 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.439 ' HB3' HG21 ' A' ' 33' ' ' ILE . 15.5 Cg_exo -70.05 -10.81 29.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.0 2.467 . . . . 0.0 113.084 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.8 -45.58 91.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.562 0.22 . . . . 0.0 111.239 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 48.4 t -58.82 -49.86 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.452 ' O ' HG13 ' B' ' 86' ' ' ILE . 7.3 tp -67.7 -45.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -177.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.32 93.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.871 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' B' ' 38' ' ' LEU . 12.0 ptmm? -64.85 -27.59 68.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.993 0.425 . . . . 0.0 110.965 -177.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.23 -41.39 49.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.485 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.3 mt -62.16 -45.01 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 0.0 111.54 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.539 HD22 HD23 ' B' ' 38' ' ' LEU . 4.6 pp -75.46 -5.78 46.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.018 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -92.22 13.15 19.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.393 -178.192 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.713 ' HG ' ' H ' ' A' ' 22' ' ' MET . 5.0 tt . . . . . 0 C--O 1.231 0.102 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -132.04 -45.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -73.29 -105.78 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.925 0.393 . . . . 0.0 111.108 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -106.53 -32.29 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.78 115.68 0.51 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.841 174.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.713 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 1.3 mpt? -88.93 -173.45 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 172.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.7 p 52.49 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.025 0.828 . . . . 0.0 112.161 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 70.8 -63.61 0.41 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.11 -173.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.5 m -64.64 -26.28 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.357 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.692 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -53.77 -40.27 66.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -68.96 -38.77 79.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.739 0.304 . . . . 0.0 111.065 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.9 tp10 -85.3 -32.69 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -173.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.08 -41.38 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.657 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.07 -34.03 49.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.692 ' HG2' ' HA ' ' A' ' 87' ' ' LEU . 89.1 mtt180 -61.15 -42.66 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 12.3 mptt -57.85 -32.32 67.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.059 -177.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.619 ' HA ' ' HB2' ' B' ' 79' ' ' PRO . 53.4 mt -64.48 -47.46 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.194 0.521 . . . . 0.0 110.405 177.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.84 -32.66 59.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.12 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 32' ' ' LYS . 2.6 p -62.01 -30.42 70.94 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -173.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.65 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -72.98 -32.84 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.634 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.39 -27.32 41.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.55 -57.29 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.565 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.44 ' OG1' ' HD3' ' B' ' 57' ' ' LYS . 5.7 t -155.98 90.19 1.2 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.341 1.067 . . . . 0.0 110.823 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.537 ' O ' ' HE2' ' A' ' 57' ' ' LYS . . . -140.89 -36.01 0.47 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.029 -1.442 . . . . 0.0 109.207 172.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.5 mt -70.62 124.56 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -105.31 145.95 30.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 0.0 110.942 -173.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.54 126.6 56.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.679 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 121.132 0.492 . . . . 0.0 110.352 179.219 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.653 0.263 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.734 ' HB3' ' HB ' ' A' ' 63' ' ' VAL . 7.3 t30 -89.75 112.79 24.18 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -109.39 112.66 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.181 0.515 . . . . 0.0 111.696 -174.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -88.61 93.43 9.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.632 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -75.19 0.44 16.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.919 -174.4 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.555 ' HG ' HG22 ' B' ' 40' ' ' THR . 0.3 OUTLIER -86.59 -55.87 3.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.456 -177.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.7 p -93.96 -29.09 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.41 . . . . 0.0 110.989 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.77 45.52 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.44 134.55 54.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -101.59 134.71 44.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.182 0.515 . . . . 0.0 110.259 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.734 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 57.2 t -123.18 135.75 26.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.635 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 65' ' ' TRP . 29.5 Cg_exo -63.81 0.78 1.78 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.17 2.58 . . . . 0.0 113.396 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.494 ' H ' HG11 ' A' ' 63' ' ' VAL . 70.2 t-105 72.84 151.05 0.11 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.62 0.768 . . . . 0.0 111.149 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.61 -60.55 0.53 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.714 0.806 . . . . 0.0 109.882 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.96 123.2 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.4 t -74.45 -24.14 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.785 0.326 . . . . 0.0 111.017 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.267 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.497 178.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.1 125.08 29.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -13.85 59.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.718 0.295 . . . . 0.0 111.772 -170.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.35 -25.5 33.8 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.608 0.242 . . . . 0.0 111.498 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.456 ' O ' HG22 ' A' ' 81' ' ' VAL . 31.6 p -79.38 146.7 66.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.434 -175.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' B' ' 36' ' ' ALA . 33.1 Cg_exo -64.02 0.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.621 2.881 . . . . 0.0 113.845 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.0 -31.62 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.035 0.445 . . . . 0.0 110.355 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 78' ' ' CYS . 16.2 m -62.66 -38.62 82.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 110.856 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.496 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 32.2 mm -75.03 -39.2 44.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.956 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.8 -51.39 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.665 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.93 -51.55 68.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.593 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 82' ' ' ILE . 2.9 pt20 -61.86 -29.8 70.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.663 -172.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 82' ' ' ILE . 75.6 mt -75.77 -50.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.61 0.243 . . . . 0.0 111.48 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.692 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 4.3 pp -81.61 -10.98 59.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 t -112.23 19.69 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -82.66 88.76 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.194 0.521 . . . . 0.0 110.917 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.293 179.648 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.42 ' HB2' ' HG2' ' B' ' 22' ' ' MET . 39.1 m-85 -86.13 70.72 10.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.181 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 45.87 73.78 0.16 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.845 0.716 . . . . 0.0 112.035 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.35 -47.83 3.81 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.526 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.743 ' HA ' ' HB1' ' B' ' 26' ' ' ALA . 80.8 mtp 68.25 9.21 7.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.375 0.67 . . . . 0.0 112.241 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -93.85 -58.59 2.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.329 0.585 . . . . 0.0 110.207 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.26 -55.13 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.312 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -60.57 -27.74 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.372 -174.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.743 ' HB1' ' HA ' ' B' ' 22' ' ' MET . . . -57.82 -46.34 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.98 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.52 -28.79 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.742 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.533 ' HG3' ' NH2' ' B' ' 31' ' ' ARG . 25.8 tt0 -78.85 -39.2 35.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.376 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.65 -27.19 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.589 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.85 -30.1 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.045 0.45 . . . . 0.0 109.853 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.533 ' NH2' ' HG3' ' B' ' 28' ' ' GLU . 45.6 ttp180 -55.69 -30.15 60.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 174.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -53.04 -55.37 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.895 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 29.2 pt -77.47 -28.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.108 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.561 ' HB3' HD21 ' B' ' 87' ' ' LEU . . . -63.37 -32.36 73.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -73.97 -34.79 64.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.381 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . . . -61.51 -52.63 63.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.2 pp -62.93 -23.5 67.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.652 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -78.52 -40.14 35.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.435 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -91.9 -38.92 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.773 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.555 HG22 ' HG ' ' A' ' 58' ' ' LEU . 3.0 t -148.06 87.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 111.511 -177.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -158.74 -60.92 0.07 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.91 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.53 HG22 HD22 ' B' ' 54' ' ' ASN . 49.3 mm -75.42 117.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.331 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.16 171.67 7.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 0.0 111.322 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.688 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -137.19 127.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.249 -176.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' B' ' 53' ' ' HIS . 9.9 m -101.05 111.1 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.963 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.1 p -98.66 123.92 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.501 0.667 . . . . 0.0 112.207 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 51' ' ' GLY . 15.0 mm-40 -88.17 116.92 26.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.427 171.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.28 -29.65 70.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.16 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.26 -55.4 8.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.767 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.92 89.26 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.703 -1.237 . . . . 0.0 114.13 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' B' ' 47' ' ' GLU . . . 136.55 123.18 2.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.702 166.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.688 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -106.93 126.28 52.11 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.405 ' HB2' HG23 ' B' ' 45' ' ' VAL . 91.5 m-70 -113.47 109.02 17.99 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.052 -175.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.92 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 3.4 t-20 -91.66 115.61 28.19 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 173.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.424 ' O ' HG21 ' B' ' 42' ' ' ILE . 40.7 mt-30 -101.98 119.25 38.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 0.0 112.034 -168.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.21 79.22 3.99 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.44 ' HD3' ' OG1' ' A' ' 40' ' ' THR . 15.6 ptpt -70.11 -1.54 10.3 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.212 -169.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.77 -23.81 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.632 0.253 . . . . 0.0 111.388 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.77 -53.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.33 63.39 0.14 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.723 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.4 147.17 45.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 25.5 m -125.93 124.64 41.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.92 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 72.3 t -107.46 131.04 22.01 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.694 178.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.65 -4.34 11.95 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.993 2.462 . . . . 0.0 112.939 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.717 ' H ' HG12 ' B' ' 63' ' ' VAL . 68.9 t-105 65.98 160.41 0.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.116 0.566 . . . . 0.0 111.347 178.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp 72.74 -15.38 0.51 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.884 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' B' ' 65' ' ' TRP . 23.7 mt-30 -82.72 35.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.582 0.23 . . . . 0.0 110.714 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m 73.07 -47.46 0.67 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.061 0.545 . . . . 0.0 111.308 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.508 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -54.49 131.63 43.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.766 0.666 . . . . 0.0 111.94 -176.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -70.31 -13.79 62.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.707 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.26 -1.08 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.854 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 71.2 m -97.39 143.28 25.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.619 ' HB2' ' HA ' ' A' ' 33' ' ' ILE . 33.3 Cg_endo -63.94 -9.28 18.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.936 2.424 . . . . 0.0 112.485 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.407 ' O ' ' HD3' ' B' ' 84' ' ' LYS . 44.4 t -57.76 -42.73 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.781 177.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' B' ' 85' ' ' GLN . 7.1 p -66.36 -39.79 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.23 0.538 . . . . 0.0 110.239 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.416 ' O ' HG13 ' B' ' 86' ' ' ILE . 37.7 mm -59.41 -52.82 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.426 177.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.43 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.438 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 6.2 mptp? -63.57 -38.78 92.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.273 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' B' ' 81' ' ' VAL . 47.4 mt-30 -62.97 -41.24 99.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 82' ' ' ILE . 76.0 mt -67.91 -46.39 82.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.421 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' B' ' 34' ' ' ALA . 4.6 pp -71.44 -21.2 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.182 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -84.16 -71.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.236 0.39 0 C-N-CA 123.266 0.626 . . . . 0.0 111.945 179.694 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.424 ' O ' ' HG3' ' A' ' 22' ' ' MET . 3.8 t80 -135.26 173.12 12.07 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.984 -175.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CZ ' HG21 ' B' ' 30' ' ' VAL . 69.8 m-85 -76.12 62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.471 -173.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -129.06 -36.91 1.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.802 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.12 45.35 0.67 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.406 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 18' ' ' TYR . 37.2 mtt -71.28 158.28 36.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.07 0.462 . . . . 0.0 111.224 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 m -145.0 -47.41 0.23 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.561 -171.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -151.48 -60.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -63.12 -14.31 47.05 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -170.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' HG21 ' A' ' 30' ' ' VAL . . . -56.62 -35.28 68.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.774 0.321 . . . . 0.0 111.588 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.77 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.425 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.67 -45.99 90.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.41 -31.19 24.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 26' ' ' ALA . 73.7 t -61.9 -48.26 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.87 -29.44 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.189 177.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.1 ttmt -59.65 -51.85 68.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.985 -177.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -72.32 -33.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.203 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -65.51 -37.96 88.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' B' ' 79' ' ' PRO . . . -62.84 -47.87 81.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.421 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.4 pp -72.6 -29.6 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 7.0 tp -67.97 -33.04 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.597 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 52.5 mtpt -74.54 -34.01 62.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.503 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -94.75 -40.23 9.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.555 ' HA ' ' HD3' ' A' ' 57' ' ' LYS . . . -82.91 -9.11 59.46 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.617 0.246 . . . . 0.0 111.434 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.3 mt -128.27 87.5 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -142.05 148.52 38.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.529 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 54' ' ' ASN . 23.8 pt -82.7 122.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.999 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 170.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 N--CA 1.459 -0.016 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.646 ' HB2' HG21 ' A' ' 44' ' ' ILE . 7.6 t30 -96.22 118.97 33.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 0.0 110.341 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.756 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 1.7 mp0 -106.65 138.95 41.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.1 t -94.68 92.99 7.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 166.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.572 ' HZ1' ' CD ' ' B' ' 43' ' ' GLU . 28.0 mtpp -52.61 -42.67 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -166.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 HD23 ' HB1' ' B' ' 36' ' ' ALA . 6.8 mp -77.68 -16.27 58.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -175.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 74' ' ' HIS . 82.6 m -97.34 -27.76 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.883 0.373 . . . . 0.0 110.548 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.96 32.58 44.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.102 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.7 143.05 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.756 ' HB3' ' HG3' ' A' ' 55' ' ' GLN . 5.4 p -129.86 140.55 50.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.435 . . . . 0.0 110.926 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.91 140.06 16.75 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -50.02 142.91 25.97 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 122.844 2.363 . . . . 0.0 112.406 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.475 ' H ' ' HE3' ' A' ' 65' ' ' TRP . 2.0 p90 -57.28 -21.98 38.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.332 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.03 -38.91 89.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.973 -173.626 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.79 -102.12 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t 175.08 148.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.283 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.305 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.463 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 p-80 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.26 105.66 17.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.533 ' HA ' HG23 ' A' ' 81' ' ' VAL . 14.2 m-20 -73.2 -6.85 48.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.342 0.591 . . . . 0.0 111.084 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.8 -30.29 65.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.833 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.2 p -73.04 146.43 87.32 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.419 . . . . 0.0 111.314 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HB2' HG22 ' B' ' 33' ' ' ILE . 35.1 Cg_endo -65.32 -11.18 29.0 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.022 2.481 . . . . 0.0 113.149 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.444 HG21 HD22 ' A' ' 58' ' ' LEU . 61.0 t -63.86 -39.4 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.267 0.555 . . . . 0.0 109.923 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 76' ' ' ASP . 38.6 t -70.45 -35.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.058 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.3 mm -59.74 -54.61 32.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.042 175.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.86 87.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.27 -45.53 90.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.968 0.414 . . . . 0.0 110.454 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.0 mt -64.18 -52.9 50.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.575 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.38 -21.02 65.63 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.612 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.542 ' HB3' ' HG2' ' A' ' 90' ' ' ARG . 61.7 m -79.89 -34.0 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.745 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.1 m 58.76 36.49 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 111.292 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 16.7 ptm180 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.586 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.755 ' HA ' ' HE2' ' B' ' 22' ' ' MET . 83.4 m-85 -73.8 2.44 8.38 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -98.41 102.78 14.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.062 0.458 . . . . 0.0 110.266 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.88 -75.44 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.081 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.755 ' HE2' ' HA ' ' B' ' 19' ' ' PHE . 19.1 mmt 67.39 109.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.368 0.604 . . . . 0.0 111.139 -175.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.9 p -84.18 45.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -173.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t70 72.58 -54.03 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 173.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -57.92 -20.04 34.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.427 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.198 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.39 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.245 0.545 . . . . 0.0 110.222 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 20.8 mm-40 -67.91 -28.61 67.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.304 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.01 -44.6 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 110.835 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.445 ' HA ' HG12 ' B' ' 33' ' ' ILE . 84.6 t -66.34 -30.78 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 110.643 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.45 -32.5 74.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.314 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 64.4 mttp -73.56 -43.05 60.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.263 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' A' ' 79' ' ' PRO . 37.5 pt -65.43 -32.82 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' B' ' 83' ' ' ALA . . . -69.3 -38.77 78.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.441 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.6 m -67.31 -29.27 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.464 ' HB1' HD23 ' A' ' 58' ' ' LEU . . . -54.42 -37.82 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.407 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.686 ' HA ' ' HB1' ' B' ' 41' ' ' ALA . 3.8 pp -73.69 -24.62 59.97 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.968 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.43 -26.95 52.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.111 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -68.2 -55.32 12.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.087 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 8.3 t -175.25 83.02 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.397 1.094 . . . . 0.0 111.036 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.686 ' HB1' ' HA ' ' B' ' 37' ' ' LEU . . . -113.29 -37.82 4.59 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.15 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.449 ' O ' ' HE2' ' A' ' 57' ' ' LYS . 32.7 mt -71.1 136.57 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.866 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.572 ' CD ' ' HZ1' ' A' ' 57' ' ' LYS . 7.4 tp10 -117.42 148.03 42.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.44 . . . . 0.0 110.419 -177.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -106.97 121.9 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.149 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' B' ' 53' ' ' HIS . 14.1 m -87.63 115.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -92.53 159.4 15.52 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.034 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.564 ' HG3' ' HA3' ' B' ' 51' ' ' GLY . 36.7 mt-10 -72.13 170.88 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.496 172.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -66.21 -38.78 88.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.83 -50.64 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.985 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.72 -81.87 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . 0.564 ' HA3' ' HG3' ' B' ' 47' ' ' GLU . . . 54.19 -175.31 0.46 Allowed Glycine 0 N--CA 1.439 -1.14 0 CA-C-O 121.703 0.613 . . . . 0.0 114.516 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' B' ' 51' ' ' GLY . . . 172.5 101.55 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.355 -1.423 . . . . 0.0 110.62 171.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.51 ' HB2' HG21 ' B' ' 45' ' ' VAL . 26.8 m-70 -113.03 110.51 20.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.007 0.432 . . . . 0.0 109.996 174.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.583 ' HB3' ' HD2' ' B' ' 64' ' ' PRO . 6.0 t30 -98.33 106.58 18.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.524 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -127.37 146.79 50.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.686 ' HB2' ' HB1' ' B' ' 61' ' ' ALA . 68.0 m -102.08 136.41 41.97 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.025 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -80.41 22.41 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.669 HD21 ' HD2' ' B' ' 79' ' ' PRO . 6.5 mp -104.26 -92.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.246 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' B' ' 74' ' ' HIS . 8.1 p -91.66 4.0 53.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.329 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.65 40.5 6.75 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.861 -176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.686 ' HB1' ' HB2' ' B' ' 56' ' ' CYS . . . -64.19 145.31 56.19 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 t -100.26 -170.47 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 111.848 -166.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.641 ' O ' ' HA3' ' B' ' 69' ' ' GLY . 58.7 t -95.2 123.13 58.03 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.784 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.583 ' HD2' ' HB3' ' B' ' 54' ' ' ASN . 97.8 Cg_endo -89.46 5.35 4.81 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.898 2.398 . . . . 0.0 112.502 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.503 ' H ' HG13 ' B' ' 63' ' ' VAL . 14.5 t-105 -77.1 -171.41 2.01 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.01 -9.22 58.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.19 -168.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.0 110.661 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.7 m -71.57 93.44 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.449 0.642 . . . . 0.0 110.459 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.641 ' HA3' ' O ' ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.443 -0.84 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.247 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . 0.568 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 14.4 p80 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.228 0.537 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.586 ' HB1' ' SG ' ' B' ' 78' ' ' CYS . . . -84.31 147.64 27.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.999 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.25 -4.32 59.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.564 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -94.3 -6.1 45.19 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.518 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . 0.586 ' SG ' ' HB1' ' B' ' 75' ' ' ALA . 89.2 m -65.37 141.65 98.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.669 ' HD2' HD21 ' B' ' 58' ' ' LEU . 51.9 Cg_exo -57.11 -16.41 21.25 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.233 2.622 . . . . 0.0 113.273 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 89.9 t -64.67 -43.67 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.191 0.52 . . . . 0.0 109.905 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.98 -39.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.572 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.433 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.1 mm -62.21 -47.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.412 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB1' ' B' ' 34' ' ' ALA . . . -54.83 -44.94 74.34 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 84.6 mttt -56.51 -50.21 72.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.559 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.81 -27.88 69.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.766 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.8 mt -75.69 -46.64 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 111.093 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.3 -15.73 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.79 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 64.0 m -84.39 90.82 7.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 111.312 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.496 0.665 . . . . 0.0 109.684 173.223 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 HD11 HG23 ' A' ' 23' ' ' THR . 42.1 mt . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -70.68 167.78 17.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.878 -172.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 20' ' ' GLN . 65.7 m-85 -55.18 150.93 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.138 -173.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' B' ' 22' ' ' MET . 29.9 tt0 79.16 -35.55 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.968 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.82 48.41 0.94 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -94.8 -178.77 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.838 0.351 . . . . 0.0 110.973 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.496 HG23 HD11 ' A' ' 17' ' ' LEU . 15.1 t -157.2 -165.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.979 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.64 -58.31 8.03 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.164 0.586 . . . . 0.0 112.456 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 m -62.13 -36.48 81.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.53 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.84 65.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 111.723 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.03 73.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 7.5 tp10 -75.24 -37.33 61.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.934 -174.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 7.1 m-20 -72.17 -36.43 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.22 -39.41 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 0.0 109.585 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.904 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 58.6 ttt180 -61.38 -38.01 85.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.289 174.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.5 ttmt -58.43 -43.9 88.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.845 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 58.4 mt -61.15 -46.66 96.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.446 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -31.95 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.466 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -72.32 -34.58 68.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.34 68.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 40.8 mt -62.59 -29.48 70.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.7 -176.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.74 -31.59 69.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -92.43 -57.14 2.78 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.003 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 m -116.29 41.11 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.139 0.495 . . . . 0.0 111.659 -169.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -141.78 21.26 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.044 0.45 . . . . 0.0 110.278 172.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.9 109.44 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.56 ' CD ' ' HZ1' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -108.81 161.71 14.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.699 0.761 . . . . 0.0 112.26 -172.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -119.76 126.1 74.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.803 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 121.245 0.545 . . . . 0.0 110.33 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 120.44 0.162 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.495 HD21 ' HB ' ' A' ' 63' ' ' VAL . 6.4 t30 -81.4 105.94 12.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 175.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -123.65 133.96 53.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.27 0.557 . . . . 0.0 112.004 -166.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.774 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 4.9 p -81.84 113.23 19.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.991 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HZ1' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -61.58 -14.5 30.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.841 -176.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.586 HD23 ' HG2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -140.21 91.44 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 110.268 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.774 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 44.9 t 168.4 -38.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.59 24.45 39.13 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.612 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.54 147.55 45.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.728 0.299 . . . . 0.0 111.294 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -107.57 127.55 53.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.238 0.542 . . . . 0.0 110.474 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.495 ' HB ' HD21 ' A' ' 54' ' ' ASN . 65.0 t -101.25 140.94 21.68 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.398 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 9.3 Cg_endo -53.37 135.18 59.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.581 2.187 . . . . 0.0 112.101 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.452 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 25.4 t-105 -62.73 144.09 56.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.665 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 95.3 mt 75.82 30.18 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 124.094 0.871 . . . . 0.0 110.888 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -111.3 165.58 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.657 173.593 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.1 m -61.94 -38.03 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.757 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.87 -179.61 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.727 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 92.5 m-70 . . . . . 0 C--O 1.233 0.187 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 78' ' ' CYS . . . -87.47 172.91 9.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.234 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.7 -33.04 71.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.795 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.96 16.09 12.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.62 0.724 . . . . 0.0 109.338 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.652 ' HG ' ' HB ' ' A' ' 80' ' ' VAL . 50.2 t -54.48 115.01 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.921 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.586 ' HG2' HD23 ' A' ' 58' ' ' LEU . 54.0 Cg_exo -54.69 -28.28 55.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.246 2.631 . . . . 0.0 112.462 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.652 ' HB ' ' HG ' ' A' ' 78' ' ' CYS . 61.1 t -59.33 -34.76 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 176.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.6 t -73.11 -38.43 55.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.117 0.484 . . . . 0.0 110.063 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.471 HG22 ' HB3' ' B' ' 29' ' ' ASP . 48.3 mm -65.96 -41.81 90.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.024 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -57.46 -42.64 82.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.235 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 88' ' ' SER . 68.4 mttm -58.31 -37.29 74.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.426 . . . . 0.0 110.98 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -71.03 -38.98 72.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.952 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.4 mt -71.62 -40.34 70.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.632 -178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.904 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -80.98 -1.11 42.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.074 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 1.6 t -92.16 176.39 6.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.215 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 p 177.33 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.323 173.842 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.9 p90 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -74.16 -21.88 59.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.729 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.84 -47.94 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 109.838 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.29 54.23 3.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.424 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.542 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 51.8 tpp -109.6 143.63 39.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.578 0.227 . . . . 0.0 110.536 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -148.31 107.86 3.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.093 0.473 . . . . 0.0 109.931 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.21 -167.98 0.17 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.656 -175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.596 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 51.2 m 72.7 -41.94 0.52 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.445 ' O ' HG22 ' B' ' 30' ' ' VAL . . . -57.32 -46.84 82.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' B' ' 25' ' ' THR . 41.1 mt-10 -57.72 -49.9 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.255 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.784 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 7.4 m-20 -88.71 -25.1 22.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 26' ' ' ALA . 43.0 t -60.4 -38.36 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 109.961 175.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -61.93 -28.74 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.741 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.784 ' HD3' ' HA ' ' B' ' 29' ' ' ASP . 2.9 mptm? -56.18 -55.72 29.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.805 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 pt -74.17 -34.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.703 ' HB3' HD22 ' B' ' 87' ' ' LEU . . . -63.44 -39.95 95.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.263 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' B' ' 39' ' ' LYS . 27.0 m -74.25 -36.07 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 0.0 110.412 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.8 72.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.599 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.809 ' HA ' ' HB1' ' B' ' 41' ' ' ALA . 4.1 pp -70.52 -24.29 62.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.305 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.557 ' HG ' ' HE2' ' B' ' 84' ' ' LYS . 7.9 tt -77.24 -36.19 54.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.197 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 35' ' ' THR . 48.6 mtpt -85.13 -44.68 12.76 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.242 -175.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.547 ' HB ' ' HG2' ' A' ' 57' ' ' LYS . 4.2 m -158.86 90.67 1.0 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.074 0.464 . . . . 0.0 109.988 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.809 ' HB1' ' HA ' ' B' ' 37' ' ' LEU . . . -123.67 -28.25 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.82 HD11 HD22 ' B' ' 54' ' ' ASN . 1.2 pp -104.69 175.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.94 147.0 32.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.605 0.717 . . . . 0.0 111.658 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 1.107 HD11 ' HB3' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -112.13 120.41 62.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.876 172.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.58 122.16 52.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.174 0.511 . . . . 0.0 110.262 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 11.4 p -80.57 153.23 28.17 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.216 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -72.15 178.07 4.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -50.12 -51.0 46.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.281 0.562 . . . . 0.0 109.53 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -171.63 107.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.951 168.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.96 -80.49 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.026 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.45 -161.23 12.43 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.702 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 1.107 ' HB3' HD11 ' B' ' 44' ' ' ILE . . . -145.38 153.35 41.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.311 -0.444 . . . . 0.0 110.389 -176.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -133.21 110.99 10.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.756 0.312 . . . . 0.0 110.421 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.82 HD22 HD11 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -103.54 115.22 30.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -178.663 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -110.04 158.23 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.804 ' HA ' HG23 ' B' ' 42' ' ' ILE . 78.5 m -122.18 103.96 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.2 62.21 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.677 -174.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tp -162.72 -64.38 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.06 13.26 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.254 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.15 56.33 25.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.328 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.31 150.27 38.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -143.43 153.69 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 14.2 p -133.07 139.28 33.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 39.8 Cg_endo -68.0 0.03 4.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.93 2.42 . . . . 0.0 113.436 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' TRP . . . . . 0.447 ' O ' ' HB3' ' B' ' 66' ' ' LEU . 30.4 t-105 70.4 149.72 0.08 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.726 0.641 . . . . 0.0 110.752 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' B' ' 65' ' ' TRP . 53.1 tp 78.11 -47.42 0.46 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.365 0.666 . . . . 0.0 111.639 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -43.68 94.87 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 109.935 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -163.2 159.77 23.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.966 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 177.242 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 121.042 0.449 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.5 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -107.97 -21.57 12.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.764 0.316 . . . . 0.0 111.257 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -91.36 -6.33 53.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.006 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 80.8 m -77.24 132.62 69.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.971 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.46 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -47.88 -44.32 27.47 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.805 3.003 . . . . 0.0 113.947 -175.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.654 HG11 HD13 ' B' ' 37' ' ' LEU . 78.1 t -58.4 -43.83 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.939 0.4 . . . . 0.0 110.851 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 t -74.22 -35.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.395 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.8 mm -52.81 -45.98 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.07 0.462 . . . . 0.0 110.096 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 -36.27 74.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.826 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . 0.557 ' HE2' ' HG ' ' B' ' 38' ' ' LEU . 90.9 mttt -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.42 -37.11 77.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 74.5 mt -70.85 -46.91 66.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.55 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' B' ' 34' ' ' ALA . 4.5 pp -72.51 -14.13 61.58 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 67.5 m -79.21 55.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 111.345 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.631 176.15 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.1 165.91 25.05 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 m -139.01 102.08 4.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.964 0.382 . . . . 0.0 110.949 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t 68.8 163.27 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.458 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -161.8 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.61 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -115.75 146.68 41.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -87.59 111.03 20.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.822 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.519 ' C ' ' H ' ' A' ' 10' ' ' HIS . 32.6 m170 -86.62 1.84 50.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -76.2 36.87 0.15 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.843 0.83 . . . . 0.0 109.323 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.519 ' H ' ' C ' ' A' ' 8' ' ' HIS . 51.1 t-80 -96.31 -9.96 28.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.807 -175.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -54.77 101.19 0.04 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.624 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -107.76 87.84 2.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.863 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.83 66.99 0.35 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.964 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -91.39 145.06 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.674 0.273 . . . . 0.0 110.514 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' HD21 ' A' ' 17' ' ' LEU . 24.7 mm-40 -61.77 143.47 56.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.981 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -89.26 85.27 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 15' ' ' GLU . 2.6 mm? -115.42 -165.26 1.01 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -59.92 -60.75 3.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HZ ' ' HA ' ' B' ' 27' ' ' ALA . 63.8 m-85 -85.94 62.59 7.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 49.87 -101.53 0.09 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.765 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.24 57.77 4.24 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.912 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 16.5 ttt -75.59 93.58 3.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.981 0.896 . . . . 0.0 111.461 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -172.72 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.968 -1.469 . . . . 0.0 108.291 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -148.75 -35.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.227 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -72.71 -16.19 61.67 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.912 ' HB3' ' HA ' ' A' ' 22' ' ' MET . . . -51.69 -42.3 62.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.862 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -29.69 59.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.871 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 35.8 mm-40 -68.71 -55.41 11.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.752 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.03 -44.05 87.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.799 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 HG22 ' A' ' 86' ' ' ILE . 55.0 t -68.3 -37.33 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 1.056 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 35.5 ttp-105 -67.21 -33.18 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 56.8 mttm -57.66 -48.64 78.91 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.147 0.499 . . . . 0.0 109.806 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.626 HG23 HD21 ' A' ' 37' ' ' LEU . 44.0 mt -60.04 -52.12 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.354 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.33 78.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.621 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -65.3 -46.21 81.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.489 . . . . 0.0 110.864 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.354 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.626 HD21 HG23 ' A' ' 33' ' ' ILE . 4.5 pp -65.39 -23.99 67.1 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -176.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -80.12 -56.95 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -59.98 -35.86 75.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -172.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.662 ' HB ' ' CB ' ' B' ' 57' ' ' LYS . 75.7 p -104.26 12.23 33.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -131.01 37.15 3.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.88 0.371 . . . . 0.0 111.073 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.76 123.59 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -106.34 128.5 54.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.463 0.649 . . . . 0.0 111.095 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 pt -82.69 112.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.815 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 m -92.36 127.67 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -98.93 123.54 43.28 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.531 0.681 . . . . 0.0 109.667 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.87 132.89 53.59 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.781 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.28 -22.71 35.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.407 0.622 . . . . 0.0 109.855 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -92.38 2.04 56.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.181 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.58 -102.75 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.017 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.29 -156.56 10.39 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.86 123.09 29.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.799 0.3 . . . . 0.0 110.415 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -121.67 143.33 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.536 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 49.0 t-20 -94.73 108.85 20.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.1 128.27 39.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 79.4 m -73.22 152.69 40.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.772 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 42.8 pttt -38.0 -56.27 1.16 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.436 HD22 ' HD2' ' A' ' 79' ' ' PRO . 11.0 mp -92.38 15.02 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.0 m 63.56 11.56 5.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.507 0.323 . . . . 0.0 111.665 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.701 ' HA2' ' HB1' ' A' ' 75' ' ' ALA . . . -74.83 -10.24 83.45 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.751 -177.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB1' HG23 ' A' ' 72' ' ' ILE . . . -152.58 132.39 13.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -136.3 134.96 38.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.867 0.365 . . . . 0.0 110.332 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.536 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 8.7 p -144.7 141.91 18.29 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.239 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.16 146.98 8.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.553 2.169 . . . . 0.0 112.162 173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -65.94 -9.2 27.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.528 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.49 -21.48 66.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.183 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 65.03 96.61 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.897 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -99.88 -43.42 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.06 -50.88 4.38 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.701 171.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.98 -55.95 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.782 0.325 . . . . 0.0 111.467 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -90.1 93.96 9.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.63 0.728 . . . . 0.0 111.045 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.474 HG23 ' HB1' ' A' ' 61' ' ' ALA . 61.2 mt -137.23 139.89 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.143 176.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -71.96 -170.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.06 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.445 ' HD1' HG11 ' A' ' 81' ' ' VAL . 8.5 p80 -143.76 130.53 20.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.745 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB1' ' HA2' ' A' ' 60' ' ' GLY . . . -75.06 109.2 8.34 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' HA ' HG12 ' A' ' 81' ' ' VAL . 21.9 t70 -65.52 -30.55 71.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.17 -167.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.28 -23.64 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.471 . . . . 0.0 111.447 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 75.5 m -83.69 140.51 41.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.955 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 27.6 Cg_exo -63.52 0.77 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.508 2.805 . . . . 0.0 113.047 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.431 HG21 ' HA3' ' A' ' 60' ' ' GLY . 46.5 t -64.19 -30.19 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.911 0.386 . . . . 0.0 110.265 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 76' ' ' ASP . 29.1 m -57.36 -47.3 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.004 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 86' ' ' ILE . 10.6 tp -72.35 -36.77 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 110.52 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.257 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.11 -44.94 94.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.848 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -57.97 -37.49 74.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.416 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.678 HG12 ' HE1' ' B' ' 19' ' ' PHE . 75.5 mt -73.95 -50.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.628 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 1.056 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -76.88 -13.49 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -91.94 -60.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.6 p 50.42 29.27 3.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.031 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -131.87 134.44 25.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.719 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.87 100.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.099 2.533 . . . . 0.0 112.786 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -157.69 146.8 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 tp 66.35 106.73 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.632 0.583 . . . . 0.0 111.873 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.599 ' HD2' HG13 ' A' ' 96' ' ' VAL . 15.6 p-80 -87.6 -33.23 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.178 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 47.72 84.68 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 173.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.599 HG13 ' HD2' ' A' ' 94' ' ' HIS . 15.9 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.435 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ptp . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.55 -69.15 2.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.767 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m 69.52 -69.1 0.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.261 0.624 . . . . 0.0 112.318 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.4 p -85.34 83.68 7.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.033 0.444 . . . . 0.0 111.62 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' B' ' 6' ' ' HIS . 11.3 p80 -131.76 2.24 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' B' ' 5' ' ' HIS . 8.7 t-160 175.08 46.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.466 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -131.64 153.96 49.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.572 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -114.76 83.68 1.94 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.044 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 67.86 118.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.559 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -73.14 -43.58 61.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -172.95 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.027 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m 61.33 -166.02 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.877 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.41 -154.26 8.58 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.42 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -155.34 178.6 10.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.684 0.242 . . . . 0.0 110.762 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 60.09 72.44 0.52 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.928 0.767 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 20' ' ' GLN . 40.1 m-80 -144.26 -75.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.459 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -123.18 -175.3 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.626 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -58.81 -50.99 71.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.694 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.678 ' HE1' HG12 ' A' ' 86' ' ' ILE . 19.8 m-85 -101.89 65.9 1.02 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.201 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' B' ' 16' ' ' ASN . 36.8 tt0 61.56 -90.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.35 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' B' ' 23' ' ' THR . . . -97.59 -36.85 4.69 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.733 ' HA ' ' HB3' ' B' ' 26' ' ' ALA . 22.6 ttt 70.55 -31.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.167 0.987 . . . . 0.0 113.098 173.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.403 ' H ' ' C ' ' B' ' 21' ' ' GLY . 9.0 t -67.19 -15.07 63.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.927 0.394 . . . . 0.0 110.942 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -149.19 -49.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.28 -13.2 61.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' B' ' 22' ' ' MET . . . -60.74 -40.31 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 111.614 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HA ' ' HZ ' ' A' ' 19' ' ' PHE . . . -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.199 -171.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.03 -50.83 66.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.696 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.85 -35.69 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 26' ' ' ALA . 74.2 t -63.19 -44.85 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.21 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.092 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' B' ' 31' ' ' ARG . 57.5 tptt -63.77 -50.58 68.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.576 0.227 . . . . 0.0 110.389 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.82 -28.15 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.745 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' B' ' 83' ' ' ALA . . . -68.64 -32.83 72.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 176.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -69.4 -29.31 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.4 -24.87 47.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.317 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.634 ' HA ' ' HB3' ' B' ' 41' ' ' ALA . 82.1 mt -60.27 -44.63 95.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.542 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.72 -25.98 44.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.238 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.39 -52.46 64.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.629 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 10.0 t -152.67 -12.92 0.17 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -70.89 -32.88 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.999 -0.438 . . . . 0.0 111.067 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -85.73 129.51 37.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.564 ' HG2' ' HE3' ' B' ' 57' ' ' LYS . 15.3 pt-20 -163.65 -179.0 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 24.7 pt -99.41 136.31 31.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.937 0.398 . . . . 0.0 111.244 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 m -88.23 139.82 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -78.05 150.29 33.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.266 0.555 . . . . 0.0 111.26 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.1 170.8 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.695 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -95.82 -28.14 14.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.5 -61.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.718 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.47 68.6 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.77 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.22 -141.96 4.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.56 172.15 15.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.66 138.82 47.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 48.6 t-20 -83.86 106.58 15.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.628 ' HG2' ' HG ' ' B' ' 62' ' ' SER . 54.7 mt-30 -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.222 0.534 . . . . 0.0 111.032 -175.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.55 154.68 38.51 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 164.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.662 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -67.21 -3.43 7.75 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.462 ' HB2' ' SG ' ' B' ' 78' ' ' CYS . 5.2 mp -128.66 -96.75 0.39 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 172.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.91 ' HB2' ' HB2' ' B' ' 78' ' ' CYS . 47.8 m -144.26 6.01 1.29 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 178.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . 0.473 ' HA2' HG21 ' B' ' 81' ' ' VAL . . . -63.03 -22.69 65.1 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.072 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' B' ' 72' ' ' ILE . . . -155.9 139.8 16.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.628 ' HG ' ' HG2' ' B' ' 55' ' ' GLN . 7.3 t -166.45 133.5 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.615 0.245 . . . . 0.0 110.614 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.538 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 9.1 p -176.81 149.18 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.418 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 90.6 Cg_exo -45.03 127.18 8.38 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 121.999 1.8 . . . . 0.0 111.145 169.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.525 ' HA ' ' HB2' ' B' ' 54' ' ' ASN . 30.4 p-90 -59.85 -28.35 67.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.27 -169.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.86 17.34 22.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.228 0.537 . . . . 0.0 110.721 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' B' ' 68' ' ' THR . 8.6 tt0 -111.89 113.27 25.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.466 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.474 HG21 ' H ' ' B' ' 69' ' ' GLY . 3.8 t 45.95 -83.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.793 1.237 . . . . 0.0 113.715 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.474 ' H ' HG21 ' B' ' 68' ' ' THR . . . 86.94 -9.57 71.67 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.589 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.5 -62.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -97.76 69.43 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.605 0.717 . . . . 0.0 109.506 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' B' ' 61' ' ' ALA . 18.5 tt -59.33 132.69 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.109 -174.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 62' ' ' SER . 81.8 tttt -68.26 146.65 53.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.143 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -124.54 139.29 54.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.336 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' B' ' 59' ' ' CYS . . . -103.06 114.71 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.59 1.82 15.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -164.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.98 -2.53 37.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.075 0.464 . . . . 0.0 110.45 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.91 ' HB2' ' HB2' ' B' ' 59' ' ' CYS . 50.5 t -110.41 134.5 20.81 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.783 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.58 ' O ' HG23 ' B' ' 82' ' ' ILE . 23.2 Cg_exo -65.51 -6.21 13.16 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.269 2.646 . . . . 0.0 113.047 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.623 HG12 HD12 ' B' ' 37' ' ' LEU . 94.4 t -75.39 -29.71 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.2 0.524 . . . . 0.0 110.235 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.473 HG21 ' HA2' ' B' ' 60' ' ' GLY . 63.9 t -70.25 -38.73 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.58 HG23 ' O ' ' B' ' 79' ' ' PRO . 7.2 tp -57.24 -36.97 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.138 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' B' ' 34' ' ' ALA . . . -59.09 -44.23 91.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.146 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.14 -44.15 92.06 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.048 0.452 . . . . 0.0 110.323 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.08 -36.24 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.561 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.8 mt -60.54 -50.94 78.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.93 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.68 -16.96 61.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -84.57 -31.13 24.51 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.651 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.532 ' O ' ' HG2' ' B' ' 90' ' ' ARG . 50.0 m -71.31 -53.41 14.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.815 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' B' ' 89' ' ' SER . 31.1 ptt180 55.22 163.74 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.767 0 O-C-N 124.783 1.302 . . . . 0.0 113.581 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.12 127.42 18.37 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.372 2.048 . . . . 0.0 111.164 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -103.72 126.43 50.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.034 0.445 . . . . 0.0 111.561 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.41 108.18 19.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -92.41 105.69 17.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.06 155.18 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.477 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.979 176.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.607 0.241 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.89 119.01 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.216 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -101.38 2.74 39.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.541 . . . . 0.0 110.613 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.0 t -111.07 124.64 52.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -146.57 142.28 27.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.765 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -82.44 149.17 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.33 -11.83 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.528 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 93.5 m-70 -125.09 -68.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.739 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.2 p80 47.41 42.39 14.11 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.553 0.692 . . . . 0.0 111.302 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.6 t60 68.06 31.68 5.34 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.092 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -86.37 -6.65 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 109.341 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -147.12 171.46 15.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.132 176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.8 64.52 0.82 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.383 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -87.52 -6.79 58.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.44 160.66 33.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.068 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -118.19 139.13 51.73 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -127.06 -169.64 2.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.83 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.899 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.83 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' OE1' ' HB2' ' A' ' 8' ' ' HIS . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 1.104 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.783 HD12 HD21 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.713 HG23 HG21 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG21 ' HB2' ' A' ' 52' ' ' ALA . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.63 106.38 19.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 m -97.21 160.4 14.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.241 -171.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.73 143.57 26.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.019 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.799 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -99.99 -34.1 10.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.92 -122.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.509 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.83 -167.17 12.38 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.269 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -79.66 147.71 31.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.111 0.482 . . . . 0.0 111.506 -176.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.52 133.24 34.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.547 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.655 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 27.4 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.626 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.655 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 94.36 174.64 38.85 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.9 t70 70.73 -56.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.328 0.564 . . . . 0.0 111.424 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -75.82 71.32 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.736 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.3 pt -131.59 106.53 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.334 0.587 . . . . 0.0 111.07 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.6 103.52 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.775 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -108.0 -7.49 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 -178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.503 ' HA ' HG23 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.633 HD12 HD21 ' B' ' 16' ' ' ASN . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB3' HG23 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.758 ' HD2' HD12 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 1.104 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 53.83 80.9 0.27 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.85 -168.69 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.317 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -72.58 81.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.752 . . . . 0.0 110.438 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -143.6 138.62 29.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.32 105.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.149 0.5 . . . . 0.0 111.536 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.01 134.69 22.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.739 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.233 -177.792 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.82 41.93 0.21 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.92 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -84.22 80.71 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 111.552 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 12.0 m -77.96 110.37 12.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -129.01 111.09 12.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -122.54 146.32 47.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -80.43 167.86 19.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -153.81 107.2 2.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 0.0 109.999 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -109.86 12.36 23.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -122.69 112.15 17.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.873 0.368 . . . . 0.0 110.968 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -148.43 118.63 7.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.685 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -146.05 83.33 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.25 0.548 . . . . 0.0 110.543 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.44 54.29 0.72 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.94 -28.65 60.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.848 0.356 . . . . 0.0 111.448 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -99.71 104.27 15.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.306 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.633 HD21 HD12 ' A' ' 82' ' ' ILE . 44.1 t-20 -144.87 117.37 8.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.046 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.1 67.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 66.52 145.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 170.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.522 ' HE1' ' ND2' ' B' ' 16' ' ' ASN . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.899 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.608 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.416 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.416 ' HB3' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.733 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.733 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.713 HG21 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.476 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.54 HG21 HD12 ' B' ' 72' ' ' ILE . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.611 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.63 -29.96 8.56 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.3 t70 66.61 10.23 7.25 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 111.208 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.68 9.1 0.76 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.168 0.987 . . . . 0.0 112.831 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.54 HD12 HG21 ' B' ' 63' ' ' VAL . 44.0 mm 62.18 100.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.197 0.311 . . . . 0.0 110.59 -175.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 31.6 mmtp -59.04 126.1 26.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.319 0.581 . . . . 0.0 109.912 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -144.23 166.47 24.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.024 -163.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.466 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.508 ' HB2' HG21 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG21 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.586 HG11 HD11 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.51 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p -71.67 92.64 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 37.0 ptt180 -157.75 136.3 7.75 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.984 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 4.8 Cg_exo -74.82 92.6 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.555 2.17 . . . . 0.0 111.172 175.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -84.64 98.99 10.5 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt -121.96 87.81 2.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.537 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -138.91 91.43 2.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.76 108.96 17.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.76 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.253 1.256 0 O-C-N 123.744 0.653 . . . . 0.0 110.931 -177.607 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.94 115.95 1.47 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -71.43 96.82 1.53 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.13 0.49 . . . . 0.0 111.84 -173.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.1 t -83.75 82.1 8.47 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 174.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -61.74 135.12 57.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.913 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 66.76 101.41 0.05 OUTLIER 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.783 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -58.06 146.71 32.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.387 0.613 . . . . 0.0 111.354 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -156.44 165.49 36.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.937 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -105.75 104.92 14.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.819 0.342 . . . . 0.0 111.428 -174.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -115.35 28.25 8.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.308 172.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -69.11 85.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.233 0.539 . . . . 0.0 110.238 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 t -91.95 107.0 18.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.321 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 -137.69 11.86 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.175 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -113.03 38.27 2.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.637 0.732 . . . . 0.0 110.144 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.53 2.41 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.045 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.77 ' HB2' HG21 ' A' ' 23' ' ' THR . 28.1 p-10 -88.19 29.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.775 -172.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -104.17 -84.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 0.0 112.103 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -81.89 175.31 10.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.323 -172.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' HA ' ' HE1' ' A' ' 22' ' ' MET . 75.1 m-85 -61.58 164.76 5.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.187 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 77.36 -15.4 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.924 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 19' ' ' PHE . . . -123.81 -101.12 1.46 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 171.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.646 ' HA ' ' HA ' ' A' ' 16' ' ' ASN . 11.7 ptp 50.57 -167.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.602 1.161 . . . . 0.0 113.72 173.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.77 HG21 ' HB2' ' A' ' 16' ' ' ASN . 15.2 t -177.87 -159.82 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.289 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.1 -25.26 61.11 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.536 ' H ' HG23 ' A' ' 23' ' ' THR . 6.5 m -58.04 -35.64 71.6 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.701 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -66.49 -22.32 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.54 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.61 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HG3' ' HE3' ' A' ' 32' ' ' LYS . 8.4 tp10 -69.49 -46.34 66.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.7 m-20 -69.6 -39.88 77.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.301 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 26' ' ' ALA . 52.6 t -65.89 -33.21 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.131 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -59.28 -46.68 87.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 173.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' HE3' ' HG3' ' A' ' 28' ' ' GLU . 85.2 mttt -53.63 -54.55 36.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.232 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.75 -34.7 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.623 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' HB3' HD21 ' A' ' 87' ' ' LEU . . . -66.93 -31.67 72.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 0.0 110.698 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.1 m -61.38 -29.09 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.431 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' B' ' 79' ' ' PRO . . . -54.46 -26.95 34.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.769 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.81 -34.0 75.15 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.77 -24.47 60.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -75.74 -38.67 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.385 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 t -142.45 -25.11 0.65 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.29 -33.39 49.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.02 -0.425 . . . . 0.0 111.008 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.462 HD12 ' SG ' ' A' ' 56' ' ' CYS . 12.7 mm -123.4 91.78 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.528 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' CD ' ' HZ2' ' B' ' 57' ' ' LYS . 11.7 pt-20 -148.2 169.48 19.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.123 0.487 . . . . 0.0 111.261 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.1 pt -96.32 121.38 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.783 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.16 137.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -88.28 136.78 32.82 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.72 158.47 28.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.11 -35.56 81.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -163.1 128.34 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.72 170.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.16 -32.63 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.088 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.54 -138.69 7.34 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.111 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.74 157.09 43.61 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -126.8 122.34 34.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -84.72 114.36 21.98 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -121.17 149.03 43.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.4 0.619 . . . . 0.0 111.515 -172.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.573 ' SG ' HG23 ' A' ' 72' ' ' ILE . 70.9 m -114.57 101.27 8.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.909 169.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HG2' ' HG1' ' B' ' 40' ' ' THR . 1.2 tpmt? -67.26 -16.09 64.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' B' ' 41' ' ' ALA . 10.9 mp -81.85 15.57 2.18 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.691 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -161.76 -39.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.958 0.408 . . . . 0.0 110.585 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.47 7.6 39.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.407 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.72 137.6 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -149.92 127.2 11.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.807 0.336 . . . . 0.0 110.461 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG22 ' HD2' ' A' ' 64' ' ' PRO . 4.4 p -130.05 146.26 60.68 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.45 ' HD2' HG22 ' A' ' 63' ' ' VAL . 85.6 Cg_exo -48.91 139.92 24.52 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.291 1.994 . . . . 0.0 111.71 172.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.429 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 11.5 p-90 -62.51 167.76 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -176.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 65' ' ' TRP . 10.1 tt 79.17 -43.36 0.31 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.54 0.736 . . . . 0.0 111.7 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.29 155.84 20.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -86.24 -46.83 9.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.642 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.9 57.63 10.54 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 63.32 -86.31 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.976 0.51 . . . . 0.0 109.939 -171.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 72' ' ' ILE . 35.2 mt-10 -143.19 38.49 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.274 173.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.573 HG23 ' SG ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 79.03 1.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.381 1.073 . . . . 0.0 110.738 -178.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 tptt 70.12 118.45 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.136 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.497 ' CD2' HG22 ' A' ' 72' ' ' ILE . 4.6 m-70 -134.53 142.27 46.96 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.447 -0.501 . . . . 0.0 112.068 -178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.99 165.5 13.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.908 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -73.73 -26.47 60.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.363 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.25 -13.81 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.475 ' O ' HG22 ' A' ' 81' ' ' VAL . 30.3 p -78.09 131.97 68.24 Favored Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.57 -174.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 16.5 Cg_exo -67.9 -0.33 5.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.979 2.453 . . . . 0.0 112.371 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 36.1 t -67.34 -34.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.499 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 78' ' ' CYS . 19.5 m -59.38 -43.67 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp -75.96 -39.69 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -49.31 74.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.671 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 53.7 mtpt -54.68 -51.96 63.87 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -49.82 -39.73 39.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.645 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.4 -51.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.645 0.26 . . . . 0.0 111.695 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 34' ' ' ALA . 4.6 pp -71.35 -19.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.61 0.243 . . . . 0.0 111.632 -174.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -93.08 -39.82 10.86 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m 60.63 21.66 11.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.603 0.716 . . . . 0.0 110.055 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.832 ' HG3' ' HD2' ' A' ' 91' ' ' PRO . 1.8 ttm180 -85.12 139.77 36.76 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.787 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.832 ' HD2' ' HG3' ' A' ' 90' ' ' ARG . 66.0 Cg_exo -25.14 105.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 125.127 3.885 . . . . 0.0 114.654 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -91.54 95.43 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.984 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 95' ' ' ALA . 60.6 tp -79.71 102.57 9.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 72.98 -24.86 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.848 0.718 . . . . 0.0 112.334 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 93' ' ' LEU . . . 70.74 165.42 0.28 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.842 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.115 -178.194 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.26 22.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.918 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -70.16 157.12 38.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.493 0.187 . . . . 0.0 110.919 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 5' ' ' HIS . 70.0 m 63.7 -158.59 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' B' ' 4' ' ' SER . 72.3 m80 78.79 -35.56 0.17 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.41 0.684 . . . . 0.0 110.817 -178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' B' ' 4' ' ' SER . 25.6 p80 41.67 89.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.586 1.154 . . . . 0.0 113.351 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.07 38.92 3.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.702 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -73.86 98.36 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.91 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -152.59 140.58 20.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.039 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.476 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 44.3 t-80 -158.08 116.95 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.339 172.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -124.32 127.86 48.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.34 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -103.75 137.42 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.418 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.28 -135.7 4.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.412 ' HB3' ' H ' ' B' ' 15' ' ' GLU . 19.6 mmt180 62.68 -155.78 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.015 0.526 . . . . 0.0 111.306 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' B' ' 14' ' ' ARG . 38.9 mt-10 -114.52 -179.61 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.786 -174.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -92.83 96.71 10.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.919 0.39 . . . . 0.0 110.644 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.15 -170.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.256 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.91 -55.03 26.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.875 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.476 ' O ' ' HB3' ' B' ' 20' ' ' GLN . 40.9 m-85 -84.46 -5.82 59.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.981 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 7.8 tp60 76.0 135.8 0.06 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.125 0.89 . . . . 0.0 109.521 -169.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.45 -91.72 1.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.03 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 1.01 ' HA ' ' HB3' ' B' ' 26' ' ' ALA . 37.1 ttm 64.81 179.21 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.848 0.459 . . . . 0.0 110.449 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.44 ' H ' ' CG ' ' B' ' 22' ' ' MET . 33.1 p 52.93 89.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.318 0.647 . . . . 0.0 111.844 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' B' ' 23' ' ' THR . 27.0 m-20 73.84 -60.67 0.52 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.964 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.1 m -61.52 -22.06 64.79 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.607 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' B' ' 22' ' ' MET . . . -55.24 -32.02 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.011 0.434 . . . . 0.0 111.368 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' B' ' 31' ' ' ARG . . . -73.17 -27.31 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.476 ' OE2' ' HA ' ' B' ' 10' ' ' HIS . 0.5 OUTLIER -68.05 -50.93 52.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -174.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.447 ' O ' HG13 ' B' ' 33' ' ' ILE . 3.5 m-20 -66.59 -45.9 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.64 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.24 -36.76 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.45 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 27.7 ttm180 -58.79 -44.88 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.033 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.9 -45.59 93.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.306 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 29' ' ' ASP . 27.0 mt -62.29 -41.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.009 0.433 . . . . 0.0 110.172 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.481 ' HB3' HD23 ' B' ' 87' ' ' LEU . . . -69.78 -31.73 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.425 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -64.64 -30.76 71.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.17 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.017 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.614 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 23.9 mt -65.83 -38.15 88.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.668 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.12 -25.77 42.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' B' ' 40' ' ' THR . 29.2 mmmt -76.72 -58.48 3.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.757 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.474 ' HG1' ' HG2' ' A' ' 57' ' ' LYS . 13.5 t 179.77 37.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.558 0.694 . . . . 0.0 111.684 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.723 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -62.54 -28.62 69.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.391 0.615 . . . . 0.0 110.381 174.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.959 HD13 ' HA ' ' B' ' 56' ' ' CYS . 13.1 mt -99.37 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -103.69 148.29 26.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.499 0.666 . . . . 0.0 111.03 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.523 ' CG2' ' HB2' ' B' ' 52' ' ' ALA . 36.2 mm -87.22 114.31 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.065 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' B' ' 53' ' ' HIS . 4.9 m -89.81 106.3 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 33.7 p -101.67 140.79 35.49 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.629 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.86 140.86 29.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.3 -58.42 5.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.304 0.574 . . . . 0.0 110.972 -174.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -132.0 105.58 7.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.506 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.29 -46.68 0.29 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.785 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.4 159.65 8.87 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.712 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -92.57 153.02 19.29 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.416 ' HB2' HG21 ' B' ' 45' ' ' VAL . 93.3 m-70 -135.58 142.54 45.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.603 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.947 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 49.7 t-20 -105.18 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -108.5 100.81 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.145 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.959 ' HA ' HD13 ' B' ' 42' ' ' ILE . 58.3 m -59.26 104.23 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.474 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.543 ' HZ2' ' CD ' ' A' ' 43' ' ' GLU . 79.7 tttt -74.46 -1.06 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.184 -170.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.472 HD23 HG22 ' B' ' 80' ' ' VAL . 6.3 mp -115.72 -57.31 2.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.011 -0.431 . . . . 0.0 111.859 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 7.5 p -82.89 -5.46 59.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.79 64.16 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.833 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.41 160.11 16.14 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.707 -0.29 . . . . 0.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -124.55 129.27 50.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 0.0 110.411 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.947 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 58.8 t -100.57 130.46 25.53 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.244 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 20.8 Cg_exo -67.86 5.34 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.591 2.861 . . . . 0.0 113.563 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.589 ' H ' HG11 ' B' ' 63' ' ' VAL . 49.0 t90 75.51 147.85 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.49 0.716 . . . . 0.0 111.287 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp 63.41 24.99 14.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.227 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -152.56 148.19 27.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.772 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -59.37 -32.22 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.571 0.544 . . . . 0.0 112.231 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.09 -23.67 30.06 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 61.66 36.99 16.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 114.857 -0.672 . . . . 0.0 111.563 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 53.06 59.04 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.974 0.892 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.486 HG12 ' N ' ' B' ' 73' ' ' LYS . 14.1 tt -63.01 170.75 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.212 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.486 ' N ' HG12 ' B' ' 72' ' ' ILE . 75.0 mmtt -43.58 127.75 4.94 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.039 0.536 . . . . 0.0 111.112 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -144.77 140.35 28.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.113 -169.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.27 122.61 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.506 ' HA ' HG21 ' B' ' 81' ' ' VAL . 25.1 t70 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 111.388 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -92.12 -6.49 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.834 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.518 ' O ' HG23 ' B' ' 81' ' ' VAL . 27.3 p -88.1 152.7 50.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.906 -176.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.422 ' HB2' ' HB2' ' A' ' 36' ' ' ALA . 39.7 Cg_exo -61.73 -28.81 82.52 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.84 2.36 . . . . 0.0 112.738 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.472 HG22 HD23 ' B' ' 58' ' ' LEU . 60.8 t -59.99 -46.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.549 -176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 78' ' ' CYS . 34.6 m -68.01 -36.94 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.33 -176.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.9 mm -54.68 -50.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.232 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.29 94.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -61.6 -36.33 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.605 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -73.65 -34.45 64.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.859 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.9 mt -74.95 -40.28 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' B' ' 34' ' ' ALA . 4.5 pp -71.09 -11.4 60.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.77 0.319 . . . . 0.0 111.519 -177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -81.42 66.19 6.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 0.0 110.305 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.0 149.21 28.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 59.71 85.7 0.17 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-O 121.344 0.592 . . . . 0.0 110.164 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -77.01 118.44 4.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.977 2.452 . . . . 0.0 112.311 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.627 ' HB3' ' HZ1' ' B' ' 92' ' ' LYS . 0.5 OUTLIER -123.8 -8.73 7.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.449 0.642 . . . . 0.0 109.795 173.113 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' B' ' 94' ' ' HIS . 27.5 tp -103.36 173.24 6.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.056 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.408 ' H ' ' HG ' ' B' ' 93' ' ' LEU . 30.9 t-80 68.79 37.14 2.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.879 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.39 118.39 22.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.387 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.245 0.853 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.567 178.122 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 tpp . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.82 134.96 35.09 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 p -146.54 138.37 24.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.6 t 72.72 144.34 0.07 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.198 173.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -156.84 119.31 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.223 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t60 65.43 106.22 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.408 0.623 . . . . 0.0 111.75 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -102.75 155.19 18.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -153.63 -166.48 2.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.634 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 76.56 115.88 0.06 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.079 0.862 . . . . 0.0 110.142 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -89.01 96.05 10.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.609 0.719 . . . . 0.0 111.054 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 m -94.47 131.72 39.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.527 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -160.55 140.51 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.75 148.69 15.79 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -100.09 85.57 3.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.333 0.587 . . . . 0.0 111.104 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -156.9 150.41 24.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.336 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' HA ' ' OD2' ' A' ' 29' ' ' ASP . 4.3 t-20 -145.42 102.36 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -134.08 130.52 37.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.459 ' OH ' ' HA ' ' B' ' 86' ' ' ILE . 52.0 t80 -90.63 84.44 5.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.758 0.789 . . . . 0.0 112.017 -174.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 87.5 m-85 60.73 -178.13 0.11 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.691 -1.595 . . . . 0.0 113.942 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 64.98 -76.04 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.615 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.53 3.91 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 26' ' ' ALA . 95.8 mmm -87.67 120.19 28.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 111.48 -175.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -146.39 134.83 21.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.725 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 63.62 -81.12 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.401 0.68 . . . . 0.0 112.431 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.2 m -75.72 2.13 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.566 0.698 . . . . 0.0 110.713 -174.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HA ' ' HE2' ' A' ' 22' ' ' MET . . . -56.86 -36.68 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.683 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.45 71.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 14.6 mm-40 -61.26 -52.12 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.285 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 16.8 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 0.0 111.636 -174.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.03 -46.56 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.606 0.241 . . . . 0.0 111.225 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -64.89 -27.4 68.84 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 15.1 ttmm -52.19 -48.95 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.516 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.55 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 22.8 mt -65.16 -45.29 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.111 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.8 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.876 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 m -64.09 -42.29 96.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' B' ' 58' ' ' LEU . . . -63.23 -45.02 93.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.42 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.69 -27.23 61.96 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 tp -72.02 -26.24 62.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.375 0.607 . . . . 0.0 110.424 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -91.45 -10.96 39.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.956 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.495 ' O ' HG12 ' A' ' 42' ' ' ILE . 32.0 p -131.34 -100.21 0.3 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.31 -66.07 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.157 0.983 . . . . 0.0 112.906 -176.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.646 HD13 HD22 ' A' ' 54' ' ' ASN . 13.0 pt -71.49 175.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.922 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.3 145.29 24.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.799 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.2 pt -114.87 112.37 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 121.12 0.486 . . . . 0.0 111.51 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG22 ' NE2' ' A' ' 55' ' ' GLN . 23.3 m -102.76 147.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 33.0 t -121.5 140.73 51.82 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.205 0.526 . . . . 0.0 110.778 -174.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -88.68 171.17 10.19 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.8 -64.67 0.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.311 0.577 . . . . 0.0 110.332 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -118.53 5.1 11.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.482 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.69 -28.82 45.52 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.27 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.29 165.46 22.89 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.019 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -82.87 132.46 35.16 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.944 0.402 . . . . 0.0 110.113 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -115.94 134.1 55.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.059 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.646 HD22 HD13 ' A' ' 42' ' ' ILE . 50.6 t-20 -93.94 115.53 27.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.556 ' NE2' HG22 ' A' ' 45' ' ' VAL . 3.0 mp0 -96.71 112.41 24.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.81 0.338 . . . . 0.0 111.696 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.441 ' HA ' HG22 ' A' ' 42' ' ' ILE . 84.7 m -79.89 96.4 6.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 171.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -48.01 -52.02 21.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.852 -170.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HD2' ' A' ' 79' ' ' PRO . 8.5 mp -63.04 -47.14 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.7 p -95.29 -2.59 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.618 -174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.52 31.52 81.03 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.97 51.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.699 0.285 . . . . 0.0 110.575 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 p -111.89 130.48 55.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.501 HG12 ' HA2' ' A' ' 69' ' ' GLY . 7.2 p -130.48 138.29 32.71 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.919 -177.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.48 144.85 39.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.566 2.177 . . . . 0.0 112.468 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -62.23 -8.68 6.09 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.394 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.84 -17.08 61.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.641 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -101.35 175.32 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 111.037 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.452 ' HB ' ' HG2' ' A' ' 71' ' ' GLU . 11.5 m -79.65 -21.3 44.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.133 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.575 ' O ' HG21 ' A' ' 72' ' ' ILE . . . 101.02 -54.53 0.82 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.577 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.513 ' HA ' ' HE1' ' A' ' 74' ' ' HIS . 32.4 t70 -72.1 -14.59 61.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.079 0.466 . . . . 0.0 110.87 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HG2' ' HB ' ' A' ' 68' ' ' THR . 12.2 mm-40 -65.45 -30.7 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.92 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.575 HG21 ' O ' ' A' ' 69' ' ' GLY . 16.9 tt -70.14 140.45 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -66.89 110.13 3.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.412 0.625 . . . . 0.0 111.271 -174.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.513 ' HE1' ' HA ' ' A' ' 70' ' ' ASP . 69.1 m80 -86.6 148.1 25.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.365 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.34 153.64 42.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.88 -13.9 58.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.21 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.95 0.66 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.354 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.559 ' O ' HG22 ' A' ' 81' ' ' VAL . 63.1 m -91.98 114.64 62.7 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.293 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 58' ' ' LEU . 19.1 Cg_endo -59.45 -3.69 2.03 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.261 2.641 . . . . 0.0 114.195 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG23 HD22 ' A' ' 58' ' ' LEU . 77.5 t -63.39 -31.92 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.247 176.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 78' ' ' CYS . 27.9 m -63.4 -36.59 76.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.08 0.467 . . . . 0.0 110.506 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.6 mm -67.33 -45.8 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.15 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.81 81.3 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.246 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.73 -46.72 84.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.104 0.478 . . . . 0.0 110.671 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.822 ' HB3' ' HD3' ' A' ' 90' ' ' ARG . 40.4 mt-30 -62.35 -30.51 71.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 82' ' ' ILE . 62.5 mt -74.97 -49.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.233 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.87 -14.96 60.28 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -99.38 9.44 43.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 110.666 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.1 p 48.56 74.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.348 0.659 . . . . 0.0 112.409 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.822 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 29.7 ptt180 -68.14 138.99 92.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.239 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -92.64 -171.42 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.99 2.46 . . . . 0.0 111.908 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.48 110.69 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.8 tp -146.27 138.92 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.714 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -85.08 74.95 10.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.079 0.466 . . . . 0.0 110.219 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.26 26.03 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.56 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.939 -178.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.75 0.31 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.28 60.13 0.12 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.836 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -136.43 120.55 17.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.813 0.34 . . . . 0.0 110.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.8 t -111.12 175.3 5.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -142.16 156.34 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 71.98 114.09 0.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.954 0.784 . . . . 0.0 111.729 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -70.13 119.16 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.865 173.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -81.6 76.82 8.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.589 0.709 . . . . 0.0 110.343 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -135.27 91.67 2.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.253 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.503 ' HB3' HG21 ' B' ' 35' ' ' THR . 40.7 t-80 -123.13 97.13 5.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.069 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.587 ' HB3' ' HD2' ' B' ' 92' ' ' LYS . 13.2 t -85.26 103.91 14.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.066 0.46 . . . . 0.0 110.432 -178.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -151.71 120.51 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.308 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.01 -117.96 0.42 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.58 ' HG2' ' H ' ' B' ' 15' ' ' GLU . 24.9 ttt180 69.93 -178.84 0.22 Allowed 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.9 0.412 . . . . 0.0 110.664 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.58 ' H ' ' HG2' ' B' ' 14' ' ' ARG . 2.0 mp0 -60.89 117.04 4.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -86.54 178.0 7.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.583 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -115.63 -125.65 0.29 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.689 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -179.19 163.84 1.33 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' B' ' 22' ' ' MET . 18.5 m-85 -54.18 -40.43 67.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -72.95 116.3 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.86 -68.68 1.72 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -167.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' B' ' 19' ' ' PHE . 9.0 ttt 64.83 -75.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.935 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 34.7 p 45.56 -87.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -126.14 -54.94 1.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -167.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -61.87 -15.4 42.14 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.64 67.52 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.004 -0.435 . . . . 0.0 111.259 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.15 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 109.4 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.757 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 33.9 mt-10 -78.03 -31.49 50.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.399 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.22 -52.66 63.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.27 0.557 . . . . 0.0 109.964 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -45.81 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.753 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.757 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 27.6 ptt180 -66.24 -29.15 69.34 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.203 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -61.58 -40.13 93.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.047 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mt -77.55 -41.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.083 0.468 . . . . 0.0 110.249 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.653 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.36 -31.25 65.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.503 HG21 ' HB3' ' B' ' 10' ' ' HIS . 97.1 m -54.64 -30.55 55.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.43 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.35 80.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.5 pp -73.87 -24.59 59.75 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.62 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.728 HD12 HD23 ' B' ' 87' ' ' LEU . 95.2 mt -70.46 -30.94 67.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.347 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' B' ' 39' ' ' LYS . 39.8 mtpt -74.02 -57.9 3.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 176.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -165.59 89.91 0.46 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 122.263 1.03 . . . . 0.0 112.146 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -114.74 -4.67 12.7 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.617 166.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -71.1 141.08 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.924 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.66 ' HB2' ' HE3' ' B' ' 57' ' ' LYS . 19.4 tt0 -102.46 137.49 40.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.445 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.466 HD11 ' HA ' ' B' ' 54' ' ' ASN . 26.5 mm -124.58 116.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.286 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' B' ' 53' ' ' HIS . 7.1 m -105.58 105.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.784 169.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.631 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.6 m -85.61 125.29 33.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.088 -174.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.33 152.44 34.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.731 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -38.09 53.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.083 0.468 . . . . 0.0 110.797 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -104.69 -44.93 4.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.28 -9.34 85.75 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.502 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . 0.427 ' O ' ' HD2' ' B' ' 53' ' ' HIS . . . 81.79 170.39 44.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.062 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -66.45 135.95 55.0 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 171.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.469 ' HB2' HG23 ' B' ' 45' ' ' VAL . 14.7 m-70 -114.4 124.87 53.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.372 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.466 ' HA ' HD11 ' B' ' 44' ' ' ILE . 37.3 t-20 -86.94 111.08 20.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.548 ' HA ' ' HB2' ' B' ' 62' ' ' SER . 19.0 mt-30 -127.61 142.58 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.22 0.533 . . . . 0.0 111.374 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.499 ' HB3' ' SG ' ' B' ' 59' ' ' CYS . 37.5 t -102.66 116.77 33.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.66 ' HE3' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -76.59 -1.08 25.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.398 -175.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 36' ' ' ALA . 12.2 tp -80.96 -39.55 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' B' ' 56' ' ' CYS . 7.5 p -101.32 -41.58 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.97 1.66 56.07 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.634 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.6 134.43 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' B' ' 55' ' ' GLN . 65.0 m -153.54 -166.93 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.458 HG11 ' HA2' ' B' ' 69' ' ' GLY . 15.0 p -110.77 145.2 31.86 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.139 -164.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.45 ' HD2' HG22 ' B' ' 63' ' ' VAL . 10.2 Cg_endo -54.38 151.03 31.34 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.165 2.577 . . . . 0.0 113.493 176.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.453 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 38.5 t-105 -66.22 163.06 18.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.301 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 92.1 mt 78.52 -19.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.093 0.957 . . . . 0.0 111.897 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -93.87 164.42 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -56.4 113.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.965 0.412 . . . . 0.0 110.504 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.458 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . -81.08 63.39 4.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.669 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -147.25 179.7 7.45 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 48.84 38.82 12.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.179 0.591 . . . . 0.0 112.23 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.66 99.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -84.53 142.39 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -163.13 -113.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 135.35 34.22 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.404 ' HA ' HG21 ' B' ' 81' ' ' VAL . 2.2 m-20 -76.25 -5.06 45.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.451 0.643 . . . . 0.0 109.739 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.66 -16.21 58.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.871 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 76.4 m -66.96 135.4 94.1 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.747 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.55 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.0 Cg_exo -56.92 -18.42 27.76 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.337 2.691 . . . . 0.0 113.457 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.08 -43.88 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.013 0.435 . . . . 0.0 110.748 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' B' ' 76' ' ' ASP . 47.9 t -69.49 -42.35 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.625 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 46.3 mm -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.942 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.95 92.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -58.9 -47.41 85.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.505 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.36 -36.42 66.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.137 0.494 . . . . 0.0 110.597 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.459 ' HA ' ' OH ' ' A' ' 18' ' ' TYR . 72.6 mt -75.07 -54.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.917 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.728 HD23 HD12 ' B' ' 38' ' ' LEU . 4.5 pp -72.54 -17.1 61.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -88.37 -21.0 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.539 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m -89.75 -0.16 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.279 0.561 . . . . 0.0 110.363 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -128.24 98.38 26.59 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.436 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.49 -174.66 2.37 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.747 2.298 . . . . 0.0 112.226 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.587 ' HD2' ' HB3' ' B' ' 11' ' ' SER . 60.3 tttm -94.7 94.44 8.12 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.58 151.07 37.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.717 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -86.7 88.44 7.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.444 0.64 . . . . 0.0 110.242 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.417 ' O ' ' HB ' ' B' ' 96' ' ' VAL . . . -148.56 38.1 0.84 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.231 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' B' ' 95' ' ' ALA . 64.1 t . . . . . 0 C--O 1.243 0.761 0 O-C-N 124.367 1.042 . . . . 0.0 110.304 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.17 36.01 41.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.856 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.564 ' O ' ' HA ' ' A' ' 70' ' ' ASP . 30.7 t -99.83 100.45 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 110.757 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -116.9 -87.14 0.62 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CE1' HD11 ' A' ' 87' ' ' LEU . 23.5 t-160 177.09 117.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.686 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -78.66 126.01 30.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.23 159.06 22.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.435 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 14.9 m-70 -142.92 -72.3 0.3 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.23 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 35.0 m80 74.46 100.23 0.07 Allowed 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.825 0.703 . . . . 0.0 110.987 -175.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.639 ' HB2' ' HG2' ' A' ' 28' ' ' GLU . 10.5 m-70 -125.82 161.63 26.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -81.15 23.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.923 0.392 . . . . 0.0 111.479 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.458 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 16.4 m -64.38 126.43 27.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.17 45.55 0.1 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.664 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -158.33 162.12 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.03 77.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.935 0.874 . . . . 0.0 109.347 172.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.94 -69.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.701 -173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.673 ' HB3' ' HA ' ' A' ' 22' ' ' MET . 91.7 mt -137.04 132.78 34.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.023 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -97.44 -175.76 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.752 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.691 ' HD2' ' HB3' ' B' ' 22' ' ' MET . 64.0 m-85 -55.75 158.49 3.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.348 0.259 . . . . 0.0 111.284 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? 79.91 -35.52 0.14 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.921 0.888 . . . . 0.0 110.959 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 45.21 1.02 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.685 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.673 ' HA ' ' HB3' ' A' ' 17' ' ' LEU . 12.9 ptp -87.63 -24.31 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.462 ' HG1' ' C ' ' A' ' 22' ' ' MET . 40.6 p 50.01 -95.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.43 -64.5 1.29 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -53.71 -32.91 53.78 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -168.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' CB ' ' HB2' ' A' ' 22' ' ' MET . . . -60.05 -25.17 65.14 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -63.86 -27.45 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.013 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.639 ' HG2' ' HB2' ' A' ' 10' ' ' HIS . 10.0 tp10 -84.53 -38.62 19.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.458 ' OD1' ' HB3' ' A' ' 12' ' ' SER . 15.2 m-20 -62.52 -45.9 90.88 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.158 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -30.35 42.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 25.5 ttm-85 -63.67 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.831 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -63.41 -49.59 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.993 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 pt -65.27 -33.35 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.215 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.08 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 111.218 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 m -76.62 -30.34 56.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -52.71 -44.44 66.33 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 38' ' ' LEU . 4.0 pp -69.12 -33.83 74.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 111.389 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 37' ' ' LEU . 39.1 tp -78.91 -26.47 43.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.543 0.687 . . . . 0.0 110.202 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.7 ' HG3' HG21 ' A' ' 40' ' ' THR . 47.1 tptt -74.61 -36.51 62.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.728 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.7 HG21 ' HG3' ' A' ' 39' ' ' LYS . 7.3 p -133.3 -56.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.15 65.78 3.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.313 0.577 . . . . 0.0 111.664 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' A' ' 56' ' ' CYS . 11.1 tp -146.93 154.26 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.729 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.42 141.87 36.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.305 0.574 . . . . 0.0 110.674 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 HG23 ' HA ' ' A' ' 54' ' ' ASN . 1.3 pp -133.04 134.18 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.713 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -106.38 153.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.1 t -100.83 139.69 36.17 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.21 0.528 . . . . 0.0 111.247 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.14 124.78 28.3 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.585 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.42 -35.58 70.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 0.0 111.537 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.8 -33.97 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.899 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.61 80.73 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.444 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.28 174.17 46.65 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.691 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.7 136.3 54.01 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.036 0.446 . . . . 0.0 110.561 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.51 119.32 30.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.931 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.673 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 28.0 t-20 -88.62 137.47 32.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.894 -176.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.44 110.47 13.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.805 ' HA ' HD11 ' A' ' 42' ' ' ILE . 77.5 m -68.05 111.66 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -79.25 38.25 0.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.234 -162.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -157.27 13.38 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 56' ' ' CYS . 23.8 p -152.17 -31.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.89 2.83 68.82 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.177 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.7 137.6 38.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.014 0.407 . . . . 0.0 110.232 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.3 p -100.11 123.93 44.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.45 0.643 . . . . 0.0 110.246 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 85.2 t -106.55 143.92 27.98 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.55 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 69' ' ' GLY . 70.6 Cg_exo -56.34 7.5 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.999 3.133 . . . . 0.0 114.468 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.673 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 0.0 OUTLIER 85.62 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.748 1.219 . . . . 0.0 112.171 173.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.7 tp -76.94 79.27 3.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.717 0.294 . . . . 0.0 111.012 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 61.42 -88.21 0.02 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.131 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.2 m -103.19 -20.93 13.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 70' ' ' ASP . . . 80.7 -69.05 3.27 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -171.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.564 ' HA ' ' O ' ' A' ' 3' ' ' SER . 4.0 t70 177.41 -78.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 O-C-N 124.382 0.696 . . . . 0.0 109.775 168.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -123.85 80.18 1.78 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.436 ' HA ' HD11 ' A' ' 72' ' ' ILE . 7.2 tp -85.41 156.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.619 175.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -72.16 128.66 36.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.154 0.502 . . . . 0.0 110.273 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -89.48 118.17 28.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.342 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.37 98.77 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 168.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.75 -29.7 70.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.98 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -80.16 -23.42 41.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.798 0.332 . . . . 0.0 110.956 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 60.1 m -80.45 118.61 73.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -176.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 32.7 Cg_exo -60.33 -23.67 75.21 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.341 2.694 . . . . 0.0 113.222 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.78 -34.81 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.658 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.34 -36.56 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.53 -47.64 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.937 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.15 -42.99 70.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.814 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HA ' ' HG ' ' A' ' 87' ' ' LEU . 89.2 mttt -62.48 -44.73 95.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.839 0.352 . . . . 0.0 110.731 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.28 -40.41 86.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.532 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.01 -50.86 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.438 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 84' ' ' LYS . 4.0 pp -69.84 -16.97 63.35 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 t -88.05 -36.52 16.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m 65.91 23.1 11.31 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.703 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 36.1 mmt180 -128.04 95.08 34.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -95.54 165.35 1.46 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.294 2.662 . . . . 0.0 111.611 171.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -149.6 153.22 36.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.48 107.35 4.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.141 0.496 . . . . 0.0 111.014 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.81 -88.83 0.58 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.237 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.98 128.52 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.834 0.709 . . . . 0.0 112.149 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.196 178.115 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.775 0.321 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.03 172.57 28.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.801 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -138.2 -57.53 0.65 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.732 0.266 . . . . 0.0 111.365 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m 60.65 83.76 0.14 Allowed 'General case' 0 C--O 1.231 0.123 0 O-C-N 123.935 0.772 . . . . 0.0 110.468 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -96.54 114.87 26.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.402 0.62 . . . . 0.0 110.329 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -117.49 117.0 28.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.938 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -79.02 155.15 28.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -106.96 94.32 5.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.574 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -89.01 143.11 27.08 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -78.94 -92.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.479 0.18 . . . . 0.0 111.227 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t 179.68 -74.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -94.75 151.24 19.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.398 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' B' ' 14' ' ' ARG . . . -146.87 65.72 0.42 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' B' ' 13' ' ' GLY . 1.0 OUTLIER 76.55 -72.55 0.1 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 111.272 -175.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 64.4 -116.2 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.803 0.689 . . . . 0.0 110.322 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 67.5 157.09 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.797 0.685 . . . . 0.0 111.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' B' ' 20' ' ' GLN . 0.6 OUTLIER 54.34 63.12 2.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.082 176.385 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -122.13 131.76 54.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 64.17 17.85 10.92 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.712 0.632 . . . . 0.0 110.854 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.614 ' HB3' HD22 ' B' ' 17' ' ' LEU . 26.5 tp60 -112.83 -36.32 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.716 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -164.43 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.975 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.691 ' HB3' ' HD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER 77.59 132.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.362 0.665 . . . . 0.0 111.521 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -118.29 -170.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -44.19 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.288 0.635 . . . . 0.0 112.082 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.9 m -66.16 -32.24 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.051 0.453 . . . . 0.0 111.469 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.99 -22.69 67.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.201 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.24 -29.98 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.299 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.468 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 36.2 tt0 -78.44 -36.85 44.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.73 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.48 -53.63 45.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.52 -34.69 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.397 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.468 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 12.5 ptm180 -73.58 -30.17 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.729 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.22 -45.24 81.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.615 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.06 -33.96 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.83 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -68.39 -34.84 76.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.113 0.482 . . . . 0.0 110.845 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 27.0 m -76.28 -30.46 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.5 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.741 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.4 pp -67.81 -30.57 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.666 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 33.8 tp -80.18 -26.0 39.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 0.0 110.848 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.717 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.1 OUTLIER -56.45 -38.05 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.266 -178.557 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.459 HG22 ' H ' ' B' ' 41' ' ' ALA . 2.0 t -113.41 -71.46 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.326 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.459 ' H ' HG22 ' B' ' 40' ' ' THR . . . 66.87 -43.57 0.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.598 HG22 ' ND2' ' B' ' 54' ' ' ASN . 7.8 mm -122.42 101.14 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -170.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.49 -178.87 3.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.28 142.42 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.583 HG11 ' HE2' ' B' ' 57' ' ' LYS . 7.7 m -111.24 132.29 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -88.15 135.91 33.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.115 0.483 . . . . 0.0 112.112 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.25 152.98 41.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.404 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.89 -36.86 30.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.416 . . . . 0.0 110.099 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.21 -46.77 66.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.12 92.97 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.47 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.19 -175.21 44.24 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.49 21.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.119 0.485 . . . . 0.0 111.43 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.463 ' HB2' HG21 ' B' ' 45' ' ' VAL . 81.1 m-70 -106.52 112.19 25.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.402 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.598 ' ND2' HG22 ' B' ' 42' ' ' ILE . 2.2 t-20 -95.98 105.72 17.79 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -156.36 157.33 35.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.935 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.74 123.05 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.588 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 33.1 mmtp -62.85 -11.72 20.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -171.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.454 HD21 ' HB1' ' A' ' 36' ' ' ALA . 5.9 mp -82.69 -105.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 83.8 m -151.6 12.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' B' ' 74' ' ' HIS . . . -87.86 -12.84 65.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.742 -0.742 . . . . 0.0 114.003 -170.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.18 130.77 8.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.601 0.7 . . . . 0.0 111.967 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 38.2 t -139.56 123.56 17.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.61 138.5 13.48 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.234 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.36 140.8 71.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.19 1.926 . . . . 0.0 111.292 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -69.9 -11.3 60.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.268 0.556 . . . . 0.0 110.961 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 22.58 5.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -144.79 162.91 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.013 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -78.16 147.19 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.784 0.326 . . . . 0.0 110.404 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.25 102.98 0.42 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -143.85 -53.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.834 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.51 25.29 7.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.181 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 12.4 tt -66.75 132.79 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.195 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -70.77 157.04 38.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.982 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.448 ' HA ' ' O ' ' B' ' 60' ' ' GLY . 81.1 m-70 -120.64 141.66 50.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.922 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.52 144.53 56.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.707 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -80.11 -6.71 58.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.961 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.89 -12.68 60.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.141 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 68.4 m -99.0 145.35 29.82 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.876 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 16.6 Cg_exo -68.4 3.0 2.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.472 2.781 . . . . 0.0 112.7 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 44.9 t -60.54 -31.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.254 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.5 -46.19 47.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.721 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.3 -43.78 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' B' ' 87' ' ' LEU . . . -57.95 -44.25 86.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 8.2 mtpm? -52.97 -52.61 57.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.393 0.616 . . . . 0.0 110.845 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.19 -39.98 95.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.796 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.26 -52.14 50.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 83' ' ' ALA . 4.5 pp -70.69 -16.75 62.82 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 71.3 m -70.8 -50.41 35.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p 52.97 -179.85 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.868 0.867 . . . . 0.0 111.8 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 57.39 87.51 0.14 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.309 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.86 78.98 0.7 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.364 2.71 . . . . 0.0 113.852 -169.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -155.53 -178.18 7.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.279 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.08 116.37 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -50.43 123.31 8.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 111.43 -173.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.68 -177.69 4.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.324 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.811 -179.755 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.95 147.28 16.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.684 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -157.18 7.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p -88.88 100.23 13.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.141 -171.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -106.86 93.09 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' B' ' 60' ' ' GLY . 10.2 p80 -72.77 140.63 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -171.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -160.83 -178.99 7.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.799 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -115.86 -170.92 1.88 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.723 0.296 . . . . 0.0 110.561 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.638 ' HB2' ' HB2' ' B' ' 75' ' ' ALA . 49.5 m-70 -136.43 -142.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' H ' ' HB3' ' A' ' 9' ' ' HIS . 37.5 m80 -84.45 -57.16 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.764 ' HA ' ' HB2' ' B' ' 76' ' ' ASP . 63.6 m 65.43 -178.91 0.19 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.415 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m 70.15 177.06 0.27 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.72 -61.05 0.35 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.18 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 66.62 38.93 3.86 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.837 0.455 . . . . 0.0 111.248 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -67.14 131.41 45.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 0.0 110.418 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -120.7 121.21 37.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.044 0.449 . . . . 0.0 110.227 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.91 133.31 45.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.1 166.04 16.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.983 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' B' ' 27' ' ' ALA . 97.2 m-85 -64.16 -19.12 65.08 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.841 -176.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -82.9 95.31 7.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.83 -95.73 0.58 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.527 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 15.4 mmt 68.5 -36.4 0.32 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 22' ' ' MET . 87.7 m 74.2 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.259 0.35 . . . . 0.0 111.627 173.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -169.57 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.119 0.485 . . . . 0.0 110.525 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 m -67.01 -6.12 15.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.443 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -55.67 -36.37 67.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.346 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -74.15 -28.3 61.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.041 0.448 . . . . 0.0 110.785 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -56.28 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 2.3 m-20 -65.66 -23.78 66.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.217 -173.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG12 HG22 ' A' ' 86' ' ' ILE . 74.5 t -69.47 -44.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.989 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 26.7 mtm180 -66.39 -38.46 87.57 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 79.5 tttt -52.93 -49.67 65.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.713 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.888 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 25.4 pt -72.79 -33.62 44.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.693 0.283 . . . . 0.0 111.357 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.648 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -67.44 -32.45 73.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -57.35 -30.61 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.374 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB1' ' HG2' ' B' ' 79' ' ' PRO . . . -61.92 -45.11 95.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.675 0.274 . . . . 0.0 111.188 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.701 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 3.5 pp -78.57 -23.41 46.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 37' ' ' LEU . 7.9 mp -73.63 -26.94 61.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.757 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -87.97 -41.26 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.489 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 p -133.95 -89.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.084 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . 64.06 -65.41 0.13 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.864 0.866 . . . . 0.0 112.286 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 54' ' ' ASN . 57.7 mt -54.7 122.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 -173.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -104.16 164.89 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.287 0.565 . . . . 0.0 111.045 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.653 HD13 ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.26 116.17 46.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.571 0.701 . . . . 0.0 109.668 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.57 123.72 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.491 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -92.43 111.42 22.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.85 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 22.4 mm-40 -89.57 139.3 30.68 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -53.02 -47.61 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.758 0.661 . . . . 0.0 111.291 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -123.84 -26.4 4.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.929 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 -22.53 69.42 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.936 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 47' ' ' GLU . . . 96.78 -175.69 31.54 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.025 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.653 ' HB1' HD13 ' A' ' 44' ' ' ILE . . . -78.75 130.49 35.83 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.4 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -136.82 142.26 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.589 HD22 HG21 ' A' ' 42' ' ' ILE . 2.6 t-20 -95.45 128.87 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.504 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -120.94 154.57 35.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.213 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 25.7 p -103.1 163.49 12.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 110.633 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' B' ' 40' ' ' THR . 37.0 mttp -95.55 84.63 4.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.205 0.526 . . . . 0.0 110.187 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 57' ' ' LYS . 7.7 mp 74.0 106.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.812 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.636 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 44.3 t 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.123 -1.398 . . . . 0.0 108.588 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.91 51.19 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.935 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB3' HD11 ' A' ' 72' ' ' ILE . . . -130.26 158.57 39.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -145.09 157.01 44.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.876 0.37 . . . . 0.0 110.537 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.491 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 9.7 p -150.79 142.59 15.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.334 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.58 132.43 45.47 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.204 1.936 . . . . 0.0 111.722 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -65.96 -8.0 20.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.85 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.76 -27.62 66.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.463 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -98.47 -170.62 1.98 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.653 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.2 t -92.01 172.79 8.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.574 ' HA3' HD12 ' A' ' 42' ' ' ILE . . . -105.58 150.34 16.93 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.607 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 70.49 12.54 7.43 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.349 0.66 . . . . 0.0 111.278 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.13 -10.68 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.609 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' A' ' 61' ' ' ALA . 15.4 tt -93.3 151.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.83 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -48.95 133.09 18.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -179.01 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.843 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.47 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.959 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -79.33 -14.94 58.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.384 0.612 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.19 -16.63 64.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.115 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 59' ' ' CYS . 8.2 m -90.18 125.73 59.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.646 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.87 -15.18 36.71 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.444 2.763 . . . . 0.0 113.183 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.37 -29.45 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.36 -30.69 50.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.015 0.435 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.3 mm -61.8 -46.11 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 176.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.22 78.08 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.794 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -68.3 -28.98 67.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.915 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.96 -39.55 72.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.592 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.607 HG22 HG12 ' A' ' 30' ' ' VAL . 76.7 mt -64.49 -48.12 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.257 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.77 -20.48 64.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 111.141 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -82.84 -37.97 23.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t 67.98 -173.18 0.19 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.785 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 60.53 78.69 0.31 Allowed Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.007 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.3 120.6 7.76 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.091 2.527 . . . . 0.0 112.645 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -154.55 157.22 37.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.893 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.7 tp 68.81 102.95 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.763 0.664 . . . . 0.0 111.512 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -111.28 35.16 3.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.67 100.41 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.235 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.543 -0.741 . . . . 0.0 109.867 178.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.586 0.231 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.31 40.92 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.4 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -67.74 108.31 2.9 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.095 0.474 . . . . 0.0 110.815 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 34.1 t -98.83 173.37 6.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -78.08 100.45 6.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.791 0.805 . . . . 0.0 111.338 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -144.48 68.51 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.735 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -92.91 85.78 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.862 0.839 . . . . 0.0 111.054 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -72.91 145.66 46.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.466 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -74.39 85.81 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.407 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.9 p -80.89 115.53 20.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.269 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -99.56 105.66 17.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.77 141.08 44.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.294 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -101.42 105.78 16.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.538 0.208 . . . . 0.0 111.122 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 61.02 -158.44 0.33 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.916 173.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -175.68 136.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.772 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.435 HD22 ' O ' ' B' ' 21' ' ' GLY . 10.6 tp -146.23 163.31 35.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -107.64 -166.62 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -171.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.01 153.58 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 59.35 24.58 13.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.441 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.435 ' O ' HD22 ' B' ' 17' ' ' LEU . . . -139.11 52.66 0.72 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 171.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 64.7 mtt -107.85 125.55 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.391 0.615 . . . . 0.0 111.742 -170.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -154.52 -40.33 0.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.499 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.96 -57.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -57.25 -53.76 54.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -25.52 33.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -69.25 -28.65 66.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.982 0.42 . . . . 0.0 110.904 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.2 -42.21 23.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.432 -176.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -61.93 -45.77 92.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.291 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.84 -32.9 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.751 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -65.89 -30.98 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -57.42 -49.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.713 -177.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.3 pt -72.92 -30.48 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.957 0.408 . . . . 0.0 111.065 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.582 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -69.15 -32.33 71.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.044 0.45 . . . . 0.0 111.231 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.426 ' HA ' HD22 ' B' ' 38' ' ' LEU . 83.7 m -60.11 -28.7 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.764 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.7 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.606 HD12 HG12 ' B' ' 80' ' ' VAL . 4.6 pp -67.76 -23.96 65.29 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.389 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' B' ' 35' ' ' THR . 3.5 mm? -65.06 -26.09 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.75 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -91.84 -31.76 15.59 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.853 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.429 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 2.2 t -158.46 91.57 1.09 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.162 0.982 . . . . 0.0 111.323 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.7 8.96 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.471 170.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.444 HG22 ' ND2' ' B' ' 54' ' ' ASN . 69.7 mt -126.81 144.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.619 -174.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' B' ' 57' ' ' LYS . 4.5 tp10 -104.66 145.53 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -112.31 111.56 36.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.519 0.676 . . . . 0.0 110.765 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.414 HG21 ' HB2' ' B' ' 53' ' ' HIS . 6.3 m -106.61 106.29 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.929 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.587 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 36.1 t -92.66 141.85 28.02 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.03 178.97 5.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.894 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -72.55 -43.38 63.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.035 -176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -130.59 -22.76 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.964 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.84 -101.97 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.523 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.05 -168.61 25.26 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.987 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.587 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -79.05 158.49 27.85 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.807 0.337 . . . . 0.0 111.041 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' B' ' 45' ' ' VAL . 86.8 m-70 -140.12 137.59 34.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' B' ' 42' ' ' ILE . 18.3 t-20 -90.58 117.18 29.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.876 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -123.75 127.39 48.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 111.673 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.84 98.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' B' ' 57' ' ' LYS . 2.0 tmtp? -69.48 -21.48 63.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.194 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' B' ' 78' ' ' CYS . 7.5 tp -85.57 8.17 20.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.855 -174.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 48.4 t -153.45 -42.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.131 0.491 . . . . 0.0 110.887 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . 0.502 ' O ' ' HB2' ' A' ' 6' ' ' HIS . . . 103.17 61.29 0.7 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.406 -175.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 130.68 44.4 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -101.94 135.88 42.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.075 0.464 . . . . 0.0 110.773 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 7.2 p -138.56 137.82 20.96 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.721 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.16 131.96 32.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.794 2.329 . . . . 0.0 112.88 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.467 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 7.8 p90 -73.36 164.68 26.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.213 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 70.85 20.25 5.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -121.52 162.01 21.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -74.62 -25.98 59.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' B' ' 71' ' ' GLU . . . 73.7 -175.08 47.55 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.828 176.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.87 -28.22 0.18 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.631 0.772 . . . . 0.0 111.649 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' B' ' 69' ' ' GLY . 20.3 mt-10 -56.65 -38.55 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.504 0.721 . . . . 0.0 111.563 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 9.4 tt -61.66 136.11 25.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.403 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -66.16 106.14 1.57 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.382 1.087 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -91.46 -175.02 4.09 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.502 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 9' ' ' HIS . . . -84.21 115.18 22.3 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 168.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.764 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 53.8 m-20 -72.51 -8.83 57.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.096 0.474 . . . . 0.0 110.803 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.25 -22.35 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.984 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.581 ' HB3' HD22 ' B' ' 58' ' ' LEU . 80.6 m -64.76 127.22 92.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -177.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.888 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -52.39 -23.94 20.12 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 123.751 2.967 . . . . 0.0 113.734 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.606 HG12 HD12 ' B' ' 37' ' ' LEU . 76.7 t -61.32 -34.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.054 0.454 . . . . 0.0 110.398 177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' B' ' 76' ' ' ASP . 33.5 t -71.21 -46.69 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.055 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.44 ' O ' HG13 ' B' ' 86' ' ' ILE . 9.6 tp -68.7 -38.73 79.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 110.371 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.87 88.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.405 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.555 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 21.9 ptmt -67.6 -27.87 67.28 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.04 -36.4 72.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.3 mt -70.67 -44.84 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.085 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.555 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -76.17 -8.49 57.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.799 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -67.72 107.59 2.63 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p -133.3 167.7 19.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.311 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -71.39 114.81 31.08 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.21 100.28 0.53 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.8 2.333 . . . . 0.0 113.286 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' B' ' 93' ' ' LEU . 90.4 mttt -82.14 148.85 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 168.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' B' ' 92' ' ' LYS . 56.4 tp 67.53 173.51 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -168.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.434 ' N ' ' HG ' ' B' ' 93' ' ' LEU . 81.6 t60 -93.13 114.27 26.74 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.36 -0.838 . . . . 0.0 110.826 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.41 155.53 25.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.875 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.038 -179.831 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 38' ' ' LEU . 26.8 ttt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.559 0.218 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.49 174.66 38.91 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p -78.77 -28.47 44.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.299 0.571 . . . . 0.0 110.45 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 t -98.96 145.43 27.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.684 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -75.19 123.79 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 0.0 110.55 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -134.46 145.74 49.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.881 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -136.64 143.79 43.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -158.54 112.62 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -67.24 156.02 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -74.22 80.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 t -83.0 95.05 7.9 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -81.73 44.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.427 -174.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.49 170.27 44.22 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.548 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 4.8 ppt_? -165.59 145.01 6.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.106 0.453 . . . . 0.0 111.291 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.686 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 29.8 tt0 -137.54 75.51 1.53 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -71.03 102.12 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.591 -1.186 . . . . 0.0 113.053 -167.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD13 ' HB ' ' A' ' 23' ' ' THR . 73.8 mt -137.59 135.64 36.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.652 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.01 -172.08 2.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.803 0.335 . . . . 0.0 110.7 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' B' ' 27' ' ' ALA . 66.1 m-85 -75.55 174.71 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.43 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 73.6 -52.6 0.7 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.969 0.793 . . . . 0.0 110.455 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.66 67.3 0.33 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.458 ' SD ' ' HB2' ' B' ' 22' ' ' MET . 65.5 mtp -86.03 -168.83 2.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.096 0.474 . . . . 0.0 110.561 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.509 ' HB ' HD13 ' A' ' 17' ' ' LEU . 12.6 t -152.37 -173.74 4.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.7 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.34 -52.57 25.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.686 ' HB ' ' HB3' ' A' ' 15' ' ' GLU . 1.6 m -75.5 -8.29 56.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.294 -174.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -31.38 71.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.097 0.475 . . . . 0.0 110.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.04 -31.1 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.342 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HG3' HH21 ' A' ' 31' ' ' ARG . 38.4 tt0 -75.07 -34.9 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.67 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.602 ' HA ' ' HZ3' ' A' ' 32' ' ' LYS . 1.2 m-20 -60.6 -42.79 97.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.651 0.262 . . . . 0.0 110.738 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 33' ' ' ILE . 16.7 t -74.6 -31.19 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.242 0.544 . . . . 0.0 109.895 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 52.3 ttp180 -63.02 -30.91 71.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.439 176.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HZ3' ' HA ' ' A' ' 29' ' ' ASP . 28.5 mtmm -57.91 -47.93 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.759 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 30' ' ' VAL . 37.5 pt -68.15 -35.55 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.841 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -66.21 -47.15 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.713 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.9 m -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' B' ' 79' ' ' PRO . . . -66.3 -45.66 79.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.617 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 3.3 pp -70.51 -28.61 65.09 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.909 -175.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 1' ' ' MET . 3.2 mm? -69.62 -34.58 74.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 110.26 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.678 ' HG3' HG23 ' A' ' 40' ' ' THR . 48.3 tptt -71.51 -57.13 4.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.035 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.678 HG23 ' HG3' ' A' ' 39' ' ' LYS . 2.3 t -162.08 83.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.892 0.853 . . . . 0.0 112.664 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . -115.52 5.61 14.47 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.387 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.453 HG12 ' HB3' ' A' ' 56' ' ' CYS . 39.8 mt -106.83 130.92 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.779 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.0 155.73 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.378 . . . . 0.0 110.346 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.603 HG23 HD21 ' A' ' 54' ' ' ASN . 1.5 pp -98.13 132.08 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.338 0.59 . . . . 0.0 111.185 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -109.66 118.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.467 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 t -88.72 137.08 32.64 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.32 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -87.99 173.74 8.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.072 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.09 -49.25 58.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 0.0 109.948 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -132.68 -27.49 1.7 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.394 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.79 -27.8 59.59 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.988 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.31 -124.62 5.0 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.647 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.11 137.59 19.81 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 123.769 0.335 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -118.33 126.89 53.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.603 HD21 HG23 ' A' ' 44' ' ' ILE . 28.5 t-20 -109.24 106.34 16.15 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -139.56 132.65 29.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.921 -173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.453 ' HB3' HG12 ' A' ' 42' ' ' ILE . 7.4 p -84.93 117.89 24.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.155 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -78.43 -14.29 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.002 0.43 . . . . 0.0 110.742 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 10.3 tp -82.08 8.57 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.7 t -148.19 -32.85 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.25 2.22 62.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.034 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 130.0 34.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.4 m -108.33 124.16 49.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.477 . . . . 0.0 110.749 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.683 HG12 ' H ' ' A' ' 65' ' ' TRP . 94.4 t -103.54 132.34 21.17 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.857 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 63' ' ' VAL . 20.6 Cg_exo -67.2 -4.04 10.94 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.207 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.683 ' H ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER 72.45 -37.56 0.39 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.918 0.887 . . . . 0.0 112.539 174.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.26 2.16 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.85 171.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' HB3' ' HG2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -136.24 151.85 50.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -50.03 -33.08 17.03 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 8.01 42.04 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 65.22 14.64 9.53 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.03 0.488 . . . . 0.0 111.162 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 69.46 -67.77 0.21 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.904 0.882 . . . . 0.0 111.039 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.9 mt 69.15 108.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 123.754 0.659 . . . . 0.0 111.429 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.74 119.89 8.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -79.06 158.05 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.6 -169.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.5 129.73 41.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -80.79 -14.84 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.728 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.09 -38.61 79.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.191 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 80' ' ' VAL . 58.3 m -80.73 153.38 73.02 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.949 -174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.74 ' HB2' HG22 ' B' ' 33' ' ' ILE . 40.1 Cg_endo -67.87 10.11 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.882 2.388 . . . . 0.0 112.619 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' A' ' 78' ' ' CYS . 49.0 t -61.13 -29.85 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.537 . . . . 0.0 109.676 174.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.57 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 14.2 m -54.65 -37.68 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.149 174.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.58 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.7 mm -70.19 -47.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.228 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -55.11 -41.7 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.793 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 11.3 ptmm? -67.68 -29.44 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.055 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 81' ' ' VAL . 6.1 mm-40 -76.37 -34.51 58.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.916 0.388 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 82' ' ' ILE . 37.7 mt -63.03 -41.0 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.966 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 64.5 tp -60.72 -30.45 69.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.4 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -84.27 46.19 1.19 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.858 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -60.55 116.45 4.35 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 61.02 79.96 0.27 Allowed Pre-proline 0 N--CA 1.467 0.388 0 O-C-N 123.746 0.654 . . . . 0.0 109.866 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -79.94 85.43 1.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.885 2.39 . . . . 0.0 112.478 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' HE2' ' HB2' ' A' ' 95' ' ' ALA . 24.5 ttpt 63.39 -173.55 0.16 Allowed 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.753 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.9 tp -64.42 -43.77 93.3 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.026 -0.421 . . . . 0.0 110.896 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -139.26 -84.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.426 175.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.432 ' HB2' ' HE2' ' A' ' 92' ' ' LYS . . . 59.33 -167.65 0.16 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.757 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.833 175.542 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.75 21.79 69.52 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.764 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 p -101.22 108.39 20.03 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.737 0.303 . . . . 0.0 110.506 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.3 t -155.6 134.57 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.279 0.561 . . . . 0.0 110.865 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -137.51 147.86 45.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -67.81 -48.24 66.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.383 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 58.78 -166.41 0.17 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.521 0.513 . . . . 0.0 110.557 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -151.14 94.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.442 . . . . 0.0 110.292 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.92 -60.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t60 58.57 94.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.671 0.607 . . . . 0.0 110.801 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 20.8 m -75.89 159.1 31.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.623 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 14.2 t -141.73 103.8 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.187 0.518 . . . . 0.0 110.451 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.87 131.76 5.87 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -125.57 154.4 42.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.032 0.416 . . . . 0.0 110.074 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -98.19 124.18 42.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.322 0.582 . . . . 0.0 111.746 -176.602 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -132.17 101.56 5.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.643 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' B' ' 17' ' ' LEU . 4.4 mm? 68.75 162.09 0.21 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.007 0.817 . . . . 0.0 111.195 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -106.28 -170.58 1.75 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.202 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.514 ' HE2' HG12 ' A' ' 86' ' ' ILE . 90.0 m-85 -78.22 -170.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.559 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.438 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 19.5 tm0? 78.09 -27.59 0.17 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.961 0.788 . . . . 0.0 110.329 -176.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' B' ' 19' ' ' PHE . . . -123.28 26.33 6.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.815 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.489 ' HG2' ' HA ' ' B' ' 19' ' ' PHE . 18.2 mmt -91.83 140.11 30.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.069 0.461 . . . . 0.0 110.939 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.0 m -123.92 -59.93 1.47 Allowed 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.758 -171.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -105.24 -83.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -167.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 -10.06 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -164.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.47 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.687 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.526 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -61.88 -29.62 70.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.72 -36.81 19.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.59 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.21 -41.93 99.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.972 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.425 ' O ' HG13 ' B' ' 33' ' ' ILE . 64.5 t -69.03 -41.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.74 0.305 . . . . 0.0 111.454 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -69.95 -27.39 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.134 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -56.62 -55.86 28.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.74 HG22 ' HB2' ' A' ' 79' ' ' PRO . 1.3 pt -66.06 -42.21 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.072 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.97 74.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.379 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.7 m -64.68 -41.24 96.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.453 ' HB2' HD11 ' A' ' 58' ' ' LEU . . . -61.36 -43.4 98.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.68 -177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.703 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 3.4 pp -73.87 -24.92 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.66 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' B' ' 37' ' ' LEU . 1.8 mm? -79.1 -42.41 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.343 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.624 ' HG3' HG21 ' B' ' 40' ' ' THR . 19.8 ptmt -80.84 -44.52 18.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -167.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.624 HG21 ' HG3' ' B' ' 39' ' ' LYS . 13.6 t -156.1 13.95 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.152 -170.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.703 ' CB ' ' HA ' ' B' ' 37' ' ' LEU . . . -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.139 0.495 . . . . 0.0 110.696 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' B' ' 56' ' ' CYS . 8.4 mt -88.65 -122.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.876 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -158.71 149.79 20.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.5 0.667 . . . . 0.0 110.871 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.468 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 21.3 mm -87.77 126.84 41.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.737 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.88 106.89 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 170.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 16.9 p -95.23 141.94 28.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.375 -174.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 49' ' ' ASP . 39.8 mt-10 -76.87 98.58 4.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.693 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.41 -78.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.145 0.903 . . . . 0.0 111.693 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' B' ' 47' ' ' GLU . 20.9 t70 -142.99 -28.93 0.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.609 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -78.4 0.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.155 -0.545 . . . . 0.0 114.226 -170.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.75 165.71 28.52 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.855 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -135.39 133.37 38.63 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.654 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -121.41 132.75 54.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.697 0.284 . . . . 0.0 110.823 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.456 ' HB3' HG12 ' B' ' 63' ' ' VAL . 43.3 t30 -96.26 113.23 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -106.59 114.9 29.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.655 ' HA ' HD11 ' B' ' 42' ' ' ILE . 49.0 t -80.29 107.86 13.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.571 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.1 OUTLIER -68.54 -11.28 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 179.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -88.08 0.94 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.501 -173.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.502 ' HA ' ' SG ' ' B' ' 78' ' ' CYS . 20.9 p -159.7 -31.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.31 18.05 25.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.963 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.512 ' HB1' HG21 ' B' ' 72' ' ' ILE . . . -96.9 163.91 12.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.558 0.218 . . . . 0.0 110.861 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.456 HG12 ' HB3' ' B' ' 54' ' ' ASN . 7.5 p -135.83 135.98 22.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.907 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.49 150.16 61.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.728 2.285 . . . . 0.0 112.441 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.472 ' HB3' ' HB2' ' B' ' 52' ' ' ALA . 3.4 p90 -57.27 -18.13 15.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.87 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.03 -23.17 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.72 0.295 . . . . 0.0 111.413 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.99 170.3 9.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.54 -68.86 0.9 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -172.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.54 -9.35 0.25 Allowed Glycine 0 C--N 1.334 0.45 0 C-N-CA 119.033 -1.556 . . . . 0.0 114.862 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.81 -11.77 60.48 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.545 0.673 . . . . 0.0 110.16 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -100.14 8.57 43.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.682 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.512 HG21 ' HB1' ' B' ' 61' ' ' ALA . 42.3 mm -94.29 115.16 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.874 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.683 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -170.03 -113.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.546 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -76.7 142.72 40.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.097 0.475 . . . . 0.0 111.972 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.73 -19.8 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.913 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.07 -21.11 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.042 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.505 ' O ' HG21 ' B' ' 81' ' ' VAL . 57.3 m -87.49 127.68 57.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.635 -175.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 27.1 Cg_exo -64.03 -3.79 6.53 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.179 2.586 . . . . 0.0 113.243 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.02 -38.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.505 HG21 ' O ' ' B' ' 78' ' ' CYS . 18.5 m -62.08 -37.42 78.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.999 0.428 . . . . 0.0 111.06 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.47 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.2 mm -66.98 -51.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB3' HG21 ' A' ' 33' ' ' ILE . . . -57.67 -45.66 85.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.086 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.26 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.47 -37.05 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.596 0.236 . . . . 0.0 110.948 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.7 mt -61.58 -43.63 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.924 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -76.5 -13.19 60.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.622 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -82.28 56.0 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.362 0.601 . . . . 0.0 110.454 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.0 t -149.95 119.16 6.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.09 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -93.57 148.49 35.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.95 139.67 84.89 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.913 2.409 . . . . 0.0 112.27 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.577 ' HD2' ' O ' ' B' ' 92' ' ' LYS . 0.4 OUTLIER -88.12 -2.5 58.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.498 HD21 ' N ' ' B' ' 94' ' ' HIS . 5.0 tt 72.38 138.62 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.498 ' N ' HD21 ' B' ' 93' ' ' LEU . 12.7 t60 -79.05 104.98 10.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.276 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.02 -146.9 0.4 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.635 0.584 . . . . 0.0 112.008 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.249 1.064 0 C-N-CA 124.911 1.284 . . . . 0.0 113.155 -179.061 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.02 71.15 0.9 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.753 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -82.76 121.77 27.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.06 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -105.41 137.21 43.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -112.24 -73.28 0.68 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 64.7 175.99 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.025 -173.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.6 m80 54.86 47.55 22.05 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.372 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -82.56 36.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.716 -173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 69.64 177.21 0.27 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.868 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -121.85 93.65 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.062 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.0 m -95.16 -169.12 1.92 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.098 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m 75.27 86.74 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.037 0.836 . . . . 0.0 111.329 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.6 167.03 51.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.086 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.32 99.91 9.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.901 0.382 . . . . 0.0 111.226 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -139.35 -83.88 0.26 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t30 61.64 107.35 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' HB2' ' H ' ' A' ' 22' ' ' MET . 5.6 mp -115.32 15.76 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.428 ' O ' ' HG2' ' A' ' 22' ' ' MET . 55.1 t80 64.85 171.54 0.2 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.262 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' HE2' HD13 ' B' ' 86' ' ' ILE . 80.5 m-85 -78.49 27.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.03 -0.419 . . . . 0.0 112.067 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.744 ' HG3' ' HA ' ' B' ' 23' ' ' THR . 24.2 tt0 -121.13 12.61 11.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -108.72 0.27 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.465 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.644 ' H ' ' HB2' ' A' ' 17' ' ' LEU . 20.9 mmt 68.47 131.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.807 0.813 . . . . 0.0 111.847 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -71.87 0.35 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.196 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -139.78 -10.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.841 0.829 . . . . 0.0 108.975 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.454 ' HA ' ' CG ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -63.52 -12.77 34.96 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.729 -173.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.2 94.39 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.07 58.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 25' ' ' THR . 6.4 mm-40 -64.67 -50.11 68.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.414 -174.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 26.8 t70 -83.97 -40.27 18.69 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.65 -30.61 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.813 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.6 ttp-105 -56.7 -36.55 69.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 28.1 ttmt -61.07 -45.73 93.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.59 -41.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.287 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 87' ' ' LEU . . . -64.18 -43.98 93.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.884 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.1 m -62.77 -31.7 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.92 18.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.052 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -64.11 -24.39 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -175.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.21 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.992 0.425 . . . . 0.0 110.749 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.1 -55.86 3.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.79 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' B' ' 57' ' ' LYS . 11.6 p -99.07 50.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -139.74 7.52 2.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.639 0.733 . . . . 0.0 109.482 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 55' ' ' GLN . 3.0 mp -115.63 136.82 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.128 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.27 143.2 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.22 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG21 ' HA ' ' A' ' 54' ' ' ASN . 17.5 pt -102.43 112.59 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.063 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.26 124.8 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.526 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 17.7 t -81.92 138.41 35.0 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.249 0.547 . . . . 0.0 109.968 -177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.04 153.71 48.13 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.953 -174.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.59 -23.83 61.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.552 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -50.85 -64.04 0.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.069 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.56 -2.52 1.48 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.832 -177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.95 133.38 3.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.333 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . 28.94 85.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -82.71 113.04 20.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.093 0.473 . . . . 0.0 110.072 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.474 ' HA ' HG21 ' A' ' 44' ' ' ILE . 42.8 t-20 -81.18 104.59 11.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.83 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 26.8 tt0 -128.12 123.56 34.78 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -65.04 119.42 10.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.297 170.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HG2' HG21 ' B' ' 40' ' ' THR . 73.9 tttt -77.38 -6.94 55.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.45 -167.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' B' ' 36' ' ' ALA . 12.7 tp -75.73 -55.22 5.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.146 -176.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -102.63 -24.67 13.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.467 . . . . 0.0 110.995 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.47 61.76 1.61 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.3 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.66 40.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.83 ' HB3' ' HB2' ' A' ' 55' ' ' GLN . 59.4 p -122.53 162.64 21.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.372 0.606 . . . . 0.0 112.546 -173.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -133.43 142.98 46.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.348 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 127.07 23.07 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.896 2.398 . . . . 0.0 111.996 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -63.31 -28.79 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.062 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.02 17.4 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.682 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HG2' HG23 ' A' ' 68' ' ' THR . 30.0 tt0 -87.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 67' ' ' GLN . 8.3 t 176.75 -35.97 0.01 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.58 -157.68 34.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.662 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 64.98 -72.72 0.06 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.347 0.659 . . . . 0.0 112.28 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.97 99.99 3.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 0.0 111.203 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.14 112.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.471 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -68.08 104.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.161 0.505 . . . . 0.0 110.182 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -95.66 177.51 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.675 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.6 150.97 23.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.23 -13.57 62.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.517 0.675 . . . . 0.0 110.251 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -82.69 -12.76 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.909 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.6 m -86.64 135.42 36.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.484 -176.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.22 2.85 2.42 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.884 2.39 . . . . 0.0 112.399 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.33 -29.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.088 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.76 -51.07 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.534 ' O ' HG12 ' A' ' 86' ' ' ILE . 6.3 tp -64.99 -44.15 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.473 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.67 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.68 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 86.0 tttt -64.25 -36.97 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.274 0.559 . . . . 0.0 110.815 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.22 -37.59 83.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 82' ' ' ILE . 50.5 mm -62.65 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.813 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -70.0 -15.55 63.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.493 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 t -86.51 -37.85 17.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.499 ' OG ' ' HD3' ' A' ' 31' ' ' ARG . 32.8 m 65.0 17.38 11.06 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.12 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -141.63 154.36 66.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.567 0.222 . . . . 0.0 110.73 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.4 116.24 4.54 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.692 2.261 . . . . 0.0 111.373 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -95.42 134.84 37.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 178.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.75 155.21 30.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.254 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 50.78 89.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.205 0.941 . . . . 0.0 112.955 172.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.57 159.04 15.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.124 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.158 178.759 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.39 157.21 51.9 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.935 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -77.29 125.97 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.626 0.25 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -94.57 117.49 30.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.86 0.362 . . . . 0.0 110.409 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -111.42 138.97 47.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -89.63 116.37 27.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -144.13 90.52 2.12 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -168.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -175.5 140.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.366 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -127.11 168.29 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -169.39 174.63 5.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.523 0.201 . . . . 0.0 111.482 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m 72.55 26.65 2.48 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 124.013 0.82 . . . . 0.0 112.817 172.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.523 ' HB3' ' NH1' ' B' ' 14' ' ' ARG . 19.9 m -69.21 102.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 172.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.92 99.22 2.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.387 -173.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.523 ' NH1' ' HB3' ' B' ' 12' ' ' SER . 6.3 mpt_? -115.99 101.28 8.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.08 125.72 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 61.25 -166.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.692 0.62 . . . . 0.0 110.997 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp 69.9 114.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.842 0.714 . . . . 0.0 111.375 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -77.67 -42.32 35.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.539 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -142.59 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -72.92 70.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.512 0.508 . . . . 0.0 111.665 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' B' ' 26' ' ' ALA . . . 75.28 117.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.653 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.14 102.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.299 0.571 . . . . 0.0 110.703 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.744 ' HA ' ' HG3' ' A' ' 20' ' ' GLN . 13.0 t 174.63 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.987 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.24 -30.17 68.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 0.0 110.996 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.729 ' H ' HG22 ' B' ' 23' ' ' THR . 10.2 m -76.32 -33.94 59.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.575 -175.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' B' ' 21' ' ' GLY . . . -63.23 -38.94 93.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 174.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.02 81.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.327 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.49 -42.69 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.273 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.25 -53.75 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 111.066 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.45 -34.68 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.512 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 1.8 tmt_? -60.92 -42.06 97.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.376 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -57.1 -46.33 82.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.381 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 32.9 mt -64.42 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.775 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -63.9 -39.26 93.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.478 -174.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.1 m -66.21 -32.62 74.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -71.96 -42.64 66.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.367 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.6 pp -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 110.826 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.99 -26.45 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.53 0.681 . . . . 0.0 109.95 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -90.65 -44.02 9.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.469 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.454 HG21 ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -133.14 31.1 3.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -168.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -117.68 31.16 6.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.384 0.611 . . . . 0.0 110.748 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 47.2 mt -120.27 134.14 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.726 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -106.16 152.81 22.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 pt -110.47 111.24 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-O 121.103 0.478 . . . . 0.0 110.326 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 m -106.89 106.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.467 0.651 . . . . 0.0 110.464 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.654 ' HA ' ' H ' ' B' ' 52' ' ' ALA . 14.1 m -107.82 138.28 44.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.187 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.5 ' H ' ' HA3' ' B' ' 51' ' ' GLY . 56.4 mm-40 -75.24 158.4 32.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.792 0.329 . . . . 0.0 110.607 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.96 -36.61 72.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.887 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -89.45 -65.79 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.99 -86.09 0.55 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.704 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . 0.5 ' HA3' ' H ' ' B' ' 47' ' ' GLU . . . 54.27 -121.84 21.39 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-O 121.467 0.482 . . . . 0.0 112.851 -175.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.654 ' H ' ' HA ' ' B' ' 46' ' ' SER . . . 77.57 84.05 0.08 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.473 -1.364 . . . . 0.0 111.422 177.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -129.08 120.15 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.384 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -95.93 107.41 19.67 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -140.55 146.16 37.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.327 0.584 . . . . 0.0 111.39 -172.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -84.72 145.67 27.81 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 40' ' ' THR . 74.0 mmtt -53.16 -38.33 62.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.084 0.468 . . . . 0.0 111.726 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.78 6.77 26.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 16.8 t 65.32 21.29 11.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.212 0.53 . . . . 0.0 110.664 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.77 92.92 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.474 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.17 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -137.02 124.72 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.431 ' CG2' ' HD2' ' B' ' 64' ' ' PRO . 13.5 p -151.92 143.24 15.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 10.1 Cg_endo -52.38 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.048 2.499 . . . . 0.0 113.376 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 57.66 -166.67 0.14 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.124 176.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.13 84.48 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.439 ' O ' ' HB ' ' B' ' 68' ' ' THR . 7.2 tt0 -155.02 107.99 2.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.421 -177.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' B' ' 67' ' ' GLN . 91.6 m 74.91 142.82 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.381 0.61 . . . . 0.0 111.606 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.06 148.16 17.82 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.941 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 34.6 t70 71.86 -53.39 0.69 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.642 0.777 . . . . 0.0 111.682 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.87 80.01 7.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.685 0.278 . . . . 0.0 110.624 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -167.05 161.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.155 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.87 128.21 33.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.388 . . . . 0.0 110.246 174.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -135.07 155.03 51.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.942 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.57 126.16 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.293 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.36 -25.44 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.25 0.548 . . . . 0.0 110.541 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.2 -17.2 60.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.737 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.505 ' SG ' HG23 ' B' ' 80' ' ' VAL . 15.9 t -74.89 130.0 82.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.813 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 25.7 Cg_exo -63.37 -13.29 35.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.314 2.676 . . . . 0.0 113.05 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.505 HG23 ' SG ' ' B' ' 78' ' ' CYS . 31.5 m -64.24 -29.4 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.316 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.07 -48.33 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 120.697 0.284 . . . . 0.0 111.41 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.505 ' O ' HG13 ' B' ' 86' ' ' ILE . 2.7 pp -74.9 -31.75 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.786 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.27 -53.07 62.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.653 0.263 . . . . 0.0 111.062 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.538 ' HA ' ' CD2' ' B' ' 87' ' ' LEU . 0.0 OUTLIER -63.55 -28.67 70.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.547 176.682 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.36 -40.8 94.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.716 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.552 HD13 ' HE2' ' A' ' 19' ' ' PHE . 91.1 mt -66.78 -45.69 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.315 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' B' ' 84' ' ' LYS . 3.0 pp -66.45 -24.97 66.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 t -75.59 -54.26 7.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.496 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t 63.93 3.1 1.54 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.38 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.9 137.41 19.28 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 96.68 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.458 2.105 . . . . 0.0 111.724 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -68.15 121.88 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.97 138.26 56.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.821 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -70.72 107.43 3.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.899 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.73 129.23 9.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.516 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.246 0.888 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.727 0.299 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.72 104.31 2.81 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.031 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -152.85 110.62 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 p -66.57 104.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.44 0.638 . . . . 0.0 110.949 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' B' ' 77' ' ' ASP . 60.3 t-80 -102.77 127.82 49.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.833 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -123.51 179.64 4.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -82.45 153.07 25.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.328 0.585 . . . . 0.0 111.494 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -125.74 76.8 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -122.64 97.86 5.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.951 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -104.24 -50.31 3.38 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -148.26 148.89 30.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.534 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 p -138.98 103.15 4.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.97 -138.93 2.52 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.962 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.45 7.61 4.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.139 0.495 . . . . 0.0 110.453 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' ASN . 1.1 pm0 -80.31 166.01 21.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 6.1 t30 74.95 149.55 0.1 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.91 0.757 . . . . 0.0 110.912 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.93 -170.92 1.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.278 0.561 . . . . 0.0 111.005 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -107.47 92.27 4.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.394 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CE1' HG21 ' B' ' 30' ' ' VAL . 56.3 m-85 68.14 -46.6 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.284 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.14 -35.43 71.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.27 0.557 . . . . 0.0 110.273 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.46 123.94 3.53 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.531 ' HB2' ' HB3' ' B' ' 19' ' ' PHE . 1.1 mmt -133.27 174.86 9.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.005 0.402 . . . . 0.0 110.698 -173.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -122.5 -178.03 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.84 -35.71 74.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.5 m -56.71 -28.52 61.09 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.715 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.515 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HA ' ' CE2' ' B' ' 19' ' ' PHE . . . -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.685 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 36.1 tt0 -75.68 -46.46 31.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.26 -54.58 43.62 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.25 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.48 -37.99 81.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' ' HB2' ' A' ' 87' ' ' LEU . 47.5 ttt180 -67.5 -43.78 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.709 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 27.3 mtpp -63.83 -42.69 97.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.821 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 77.8 mt -67.15 -51.37 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . . . -57.69 -35.76 71.05 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 112.078 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -72.67 -31.79 65.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.72 ' HB2' HD22 ' B' ' 58' ' ' LEU . . . -70.24 -32.36 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' HA ' HG22 ' A' ' 40' ' ' THR . 13.4 mt -60.59 -39.4 87.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.8 -36.61 67.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.57 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -91.44 -15.63 28.58 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 37' ' ' LEU . 6.8 t -105.68 -22.44 12.96 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.33 -19.03 19.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.23 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.89 112.74 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 159.46 15.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.532 0.682 . . . . 0.0 111.768 -173.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.2 pp -111.61 124.27 68.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.645 169.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -103.83 113.88 41.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.462 0.649 . . . . 0.0 110.794 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.4 p -83.75 141.27 31.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.249 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.0 -179.37 5.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.582 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -91.01 -17.53 26.14 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 109.916 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -143.38 -50.34 0.33 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.163 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.4 -29.87 67.07 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 114.964 0.745 . . . . 0.0 114.964 -170.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.62 -124.23 3.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.962 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.11 144.81 25.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.82 0.343 . . . . 0.0 110.537 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.23 138.79 54.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' A' ' 62' ' ' SER . 22.1 t-20 -82.75 128.22 34.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -130.03 142.15 50.65 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.231 0.539 . . . . 0.0 111.185 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.638 ' HG ' HG22 ' A' ' 72' ' ' ILE . 15.7 p -116.54 88.81 2.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 3.0 ttmp? -55.42 -24.21 29.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.002 -174.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.4 -37.19 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 32.5 t -99.73 -38.06 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.5 9.4 41.15 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.419 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.507 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . . . -92.21 159.43 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.657 0.265 . . . . 0.0 111.006 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 19.5 p -161.59 143.4 11.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.001 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.688 HG23 ' HD2' ' A' ' 64' ' ' PRO . 1.6 p -149.98 156.69 38.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 63' ' ' VAL . 3.8 Cg_exo -42.1 128.15 4.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.883 2.389 . . . . 0.0 112.025 172.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -60.93 -23.54 65.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.569 -171.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 tp -93.03 35.03 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -157.45 131.69 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.2 m -67.22 -51.09 57.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.03 67.28 2.3 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 113.528 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 61.26 24.63 14.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.417 0.287 . . . . 0.0 111.436 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 72' ' ' ILE . 29.2 tt0 59.1 46.93 12.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 71' ' ' GLU . 5.0 tp 66.86 -3.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.421 1.488 . . . . 0.0 112.908 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? 67.46 141.76 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.319 0.581 . . . . 0.0 110.998 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -129.42 145.56 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.062 -0.399 . . . . 0.0 110.501 -176.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 162.66 14.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.457 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.01 -32.04 73.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.384 0.611 . . . . 0.0 110.135 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.11 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.723 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.597 ' HB3' HG21 ' A' ' 80' ' ' VAL . 72.1 m -80.79 122.13 81.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.886 0.374 . . . . 0.0 111.178 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.87 -15.41 48.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.047 2.498 . . . . 0.0 112.389 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.597 HG21 ' HB3' ' A' ' 78' ' ' CYS . 28.3 m -61.99 -30.05 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.39 -34.26 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 121.211 0.529 . . . . 0.0 109.916 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 86' ' ' ILE . 43.0 mm -70.18 -49.82 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.111 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' B' ' 33' ' ' ILE . . . -57.44 -41.94 81.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.95 -47.07 87.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.401 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.462 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.9 mt -60.71 -42.67 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.555 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.61 ' HB2' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -80.36 -6.39 57.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.81 0.338 . . . . 0.0 111.441 -176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.0 m -103.71 29.61 5.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.933 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -55.15 -39.57 69.61 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.65 0.738 . . . . 0.0 109.403 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -95.46 121.49 61.62 Favored Pre-proline 0 N--CA 1.448 -0.568 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 169.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -47.74 114.28 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.586 2.857 . . . . 0.0 113.275 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -56.41 140.49 45.47 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.852 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt -49.16 109.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 0.0 111.545 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -135.55 128.84 32.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.115 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.6 98.09 11.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.276 -175.006 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.42 95.93 0.19 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -74.09 142.12 45.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.383 . . . . 0.0 110.973 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -84.59 149.1 26.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -126.95 115.46 19.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -96.18 110.14 22.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.726 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -87.28 148.59 25.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.427 0.632 . . . . 0.0 112.367 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -117.69 139.49 50.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.237 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' B' ' 10' ' ' HIS . 10.0 p80 -157.9 179.25 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 177.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' B' ' 9' ' ' HIS . 1.5 m170 75.81 112.29 0.07 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.988 0.805 . . . . 0.0 110.37 -173.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -147.2 95.45 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.659 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.0 m -103.09 -31.25 10.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.409 0.623 . . . . 0.0 109.501 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.07 -175.74 33.86 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.188 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 14' ' ' ARG . 54.5 mtt180 69.55 117.95 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.904 0.859 . . . . 0.0 112.141 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 15' ' ' GLU . 0.4 OUTLIER -98.67 -6.31 29.94 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.878 172.426 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 61.18 -165.44 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.752 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.3 82.34 8.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.557 ' HB2' ' HE3' ' B' ' 22' ' ' MET . 2.8 p90 -64.33 -29.63 70.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.154 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 22' ' ' MET . 49.4 m-85 -73.1 161.58 30.46 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.378 175.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.514 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 42.5 tp60 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.593 0.558 . . . . 0.0 111.472 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.03 50.71 1.18 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.115 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.557 ' HE3' ' HB2' ' B' ' 18' ' ' TYR . 13.4 mmt -111.82 162.24 15.48 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 111.375 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.75 171.94 7.06 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.278 177.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.21 -25.07 61.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.224 0.535 . . . . 0.0 111.038 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -72.0 -13.14 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.732 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.405 ' O ' HG22 ' B' ' 30' ' ' VAL . . . -60.46 -38.45 84.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.541 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -74.8 -39.46 61.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.481 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 13.7 t70 -72.94 -27.59 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.179 0.514 . . . . 0.0 110.144 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.467 HG21 ' CE1' ' A' ' 19' ' ' PHE . 88.5 t -72.49 -40.57 63.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.924 172.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.577 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 11.5 ttm-85 -60.64 -34.97 75.06 Favored 'General case' 0 N--CA 1.461 0.09 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' B' ' 29' ' ' ASP . 16.8 tptm -52.11 -46.82 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.835 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 83' ' ' ALA . 39.2 mt -74.12 -45.58 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.418 ' HB1' HD21 ' B' ' 87' ' ' LEU . . . -63.86 -31.31 72.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.343 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.3 m -58.25 -30.58 66.67 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.4 71.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.397 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 18.8 mt -65.8 -41.79 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.39 -25.55 65.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.999 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -88.06 -54.08 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.0 88.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.226 1.013 . . . . 0.0 111.917 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -132.6 6.3 4.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.185 171.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -113.01 122.56 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.68 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 7.1 pt-20 -104.75 150.37 24.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.022 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 pt -99.52 114.89 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 121.351 0.596 . . . . 0.0 111.312 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -90.78 122.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.682 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -84.34 140.95 31.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.205 0.526 . . . . 0.0 110.737 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.404 ' OE1' ' HA3' ' B' ' 51' ' ' GLY . 39.8 mt-10 -80.91 135.77 35.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.315 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.15 -29.64 70.96 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 123.396 0.435 . . . . 0.0 110.532 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.66 -26.85 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.878 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.22 66.49 0.2 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . 0.404 ' HA3' ' OE1' ' B' ' 47' ' ' GLU . . . -162.92 -159.79 10.71 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.11 145.33 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.133 0.492 . . . . 0.0 111.415 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.62 142.07 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.089 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.708 HD22 ' HA ' ' B' ' 65' ' ' TRP . 31.6 m-80 -82.05 129.88 34.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 8.6 tt0 -152.21 142.02 21.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.249 0.547 . . . . 0.0 111.721 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.64 125.17 48.25 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 166.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.21 -3.3 3.74 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.741 HD23 ' HD2' ' B' ' 79' ' ' PRO . 10.2 mp -83.11 -3.87 57.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.499 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 65.2 m 74.31 21.67 2.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.081 0.552 . . . . 0.0 111.038 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . 0.506 ' HA2' ' HB1' ' B' ' 75' ' ' ALA . . . -79.04 -46.22 8.43 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.13 144.7 24.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 10.5 t -157.93 134.56 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.625 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.424 HG12 ' HA2' ' B' ' 69' ' ' GLY . 14.6 p -156.21 145.55 15.19 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.328 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.77 147.75 1.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.989 2.459 . . . . 0.0 112.153 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.708 ' HA ' HD22 ' B' ' 54' ' ' ASN . 0.5 OUTLIER -80.09 164.61 23.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.888 -175.463 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 71.81 11.93 6.25 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.646 0.591 . . . . 0.0 110.605 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.65 164.23 16.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.7 m -70.69 105.1 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.933 0.396 . . . . 0.0 110.751 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.424 ' HA2' HG12 ' B' ' 63' ' ' VAL . . . -102.11 55.13 0.73 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.574 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.31 -36.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.657 0.265 . . . . 0.0 111.072 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.21 13.46 25.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.642 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.474 HG23 ' O ' ' B' ' 72' ' ' ILE . 0.0 OUTLIER -101.36 95.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.586 0.707 . . . . 0.0 110.558 -176.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 65.96 162.05 0.15 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.838 173.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -153.71 139.65 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.1 -0.375 . . . . 0.0 110.169 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB1' ' HA2' ' B' ' 60' ' ' GLY . . . -104.45 117.14 33.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 5' ' ' HIS . 32.6 m-20 -73.07 -16.62 61.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.512 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.476 ' SG ' ' HB1' ' B' ' 75' ' ' ALA . 69.6 m -85.95 125.42 68.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.741 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.741 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.2 Cg_exo -57.54 -28.12 79.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.188 2.592 . . . . 0.0 112.952 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.416 HG23 HD21 ' B' ' 58' ' ' LEU . 61.7 t -64.35 -39.2 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.615 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.44 -40.14 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.442 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -75.75 -35.23 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.09 99.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.719 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 21.8 pttp -64.73 -28.07 69.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.576 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -75.57 -30.44 59.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.482 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.442 HG13 ' O ' ' B' ' 82' ' ' ILE . 70.9 mt -60.76 -50.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.444 176.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.577 ' HB2' ' HG3' ' B' ' 31' ' ' ARG . 4.6 pp -68.95 -18.08 64.03 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.401 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.5 m -85.35 -55.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.287 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t 68.71 -67.12 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.779 0.674 . . . . 0.0 111.472 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -170.23 83.16 0.58 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.916 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.35 73.09 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.863 2.375 . . . . 0.0 112.614 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.1 tttp 173.17 126.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.44 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 51.4 tp -69.17 140.47 54.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -87.35 80.01 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.97 101.38 8.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.1 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.099 -178.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.2 100.99 0.2 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.144 -1.027 . . . . 0.0 113.058 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -123.07 85.94 2.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -99.66 97.23 8.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.306 0.574 . . . . 0.0 111.217 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -122.22 93.72 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.772 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -103.94 113.39 26.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.798 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.74 -179.57 3.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.289 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -139.21 122.21 16.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.177 0.513 . . . . 0.0 111.875 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -145.21 166.05 26.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.137 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -133.77 -78.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.408 -0.517 . . . . 0.0 112.026 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -82.44 154.14 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.388 0.613 . . . . 0.0 112.236 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -104.29 177.2 4.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.31 175.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.24 161.42 19.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.775 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.23 104.4 16.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -110.09 108.73 19.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.827 0.346 . . . . 0.0 110.304 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.464 ' H ' HD21 ' A' ' 16' ' ' ASN . 0.1 OUTLIER -82.49 52.28 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.62 0.724 . . . . 0.0 111.379 -179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp -139.02 129.29 25.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.556 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -97.07 169.92 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -72.72 88.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.244 0.545 . . . . 0.0 112.381 -172.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -139.99 -85.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.13 69.46 1.34 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.9 tpt -73.97 145.48 44.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.358 . . . . 0.0 110.655 -172.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.74 0.4 20.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.917 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' B' ' 19' ' ' PHE . 35.6 t70 74.41 -41.73 0.48 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.764 0.826 . . . . 0.0 112.119 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -57.91 -16.68 12.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.107 0.48 . . . . 0.0 111.476 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 30' ' ' VAL . . . -57.45 -27.24 62.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.84 65.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.181 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 9.6 tp10 -61.14 -45.77 93.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.472 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.502 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 7.6 m-20 -77.7 -31.31 52.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 0.0 111.225 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 26' ' ' ALA . 67.9 t -69.25 -33.87 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 36.0 ptt180 -73.22 -27.94 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.816 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 93.5 mttt -58.28 -50.91 71.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.708 0.289 . . . . 0.0 110.465 174.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' B' ' 79' ' ' PRO . 40.0 pt -69.16 -29.69 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.544 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 83' ' ' ALA . . . -64.97 -32.7 74.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.582 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -76.49 -30.3 57.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.039 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.93 -26.55 68.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.338 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.46 -43.45 98.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.654 ' HA ' HG12 ' A' ' 42' ' ' ILE . 9.7 mp -70.25 -26.16 63.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.608 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.658 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -76.3 -18.68 58.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.728 ' HB ' ' HB2' ' B' ' 41' ' ' ALA . 21.0 p -117.36 -54.22 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 -20.14 54.72 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.897 0.38 . . . . 0.0 111.386 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.654 HG12 ' HA ' ' A' ' 38' ' ' LEU . 28.6 mm -93.43 105.98 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -133.02 135.81 45.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.747 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.657 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -89.98 122.38 41.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.016 -175.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.46 109.56 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.463 0.649 . . . . 0.0 109.353 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 p -74.66 133.37 42.12 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.399 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.22 140.69 36.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.82 -27.56 68.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.84 -22.31 65.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.53 20.05 6.74 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.512 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.5 -167.22 23.66 Favored Glycine 0 N--CA 1.436 -1.311 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.45 124.94 3.7 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.916 0.389 . . . . 0.0 111.908 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -113.69 110.42 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.657 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 60.1 t30 -82.68 106.92 14.93 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -110.65 137.11 48.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.679 0.752 . . . . 0.0 112.371 -170.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.6 p -98.3 132.52 43.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 168.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -85.92 -131.85 0.05 Allowed 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD13 HG21 ' B' ' 40' ' ' THR . 7.4 tp 67.06 -61.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.252 0.621 . . . . 0.0 111.366 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.52 -14.25 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.175 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.83 70.77 1.34 Allowed Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.722 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.94 144.63 50.95 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -100.65 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.099 0.476 . . . . 0.0 111.587 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.9 t -132.36 139.64 35.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.045 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.587 ' HD2' ' HB2' ' A' ' 70' ' ' ASP . 75.5 Cg_exo -51.62 128.55 26.49 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.67 2.247 . . . . 0.0 112.002 172.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -64.52 -41.39 96.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.372 -174.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.92 32.53 0.74 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 111.975 -173.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -142.41 149.14 38.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.3 t -66.28 -7.48 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.532 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.84 137.49 2.83 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.587 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 15.4 t70 -90.77 -11.88 38.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 0.0 109.618 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 58.04 36.93 26.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.317 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.65 144.52 5.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.771 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -58.39 141.68 50.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.442 0.639 . . . . 0.0 111.613 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -125.28 174.43 8.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.671 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.526 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -68.52 147.57 51.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.725 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.17 -17.98 64.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.212 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.887 ' HA ' ' HA ' ' B' ' 12' ' ' SER . 14.7 t70 -89.4 -1.6 58.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.58 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 75' ' ' ALA . 95.7 m -83.5 124.7 75.3 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.289 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 31.1 Cg_exo -62.52 -17.44 58.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.127 2.552 . . . . 0.0 112.265 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.07 -31.02 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.993 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 54.7 t -63.04 -40.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.631 HD13 ' H ' ' B' ' 14' ' ' ARG . 50.3 mm -65.34 -45.81 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.553 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . . . -58.49 -38.88 78.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.254 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -66.21 -38.92 89.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.491 ' HG2' ' HD3' ' A' ' 92' ' ' LYS . 79.4 mt-30 -58.38 -43.93 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.25 -49.45 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.536 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 4.4 pp -72.18 -16.05 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.432 -177.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.5 m -77.39 -37.63 51.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.656 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t 61.1 28.63 18.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.65 0.738 . . . . 0.0 109.73 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -140.25 140.55 23.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.415 -170.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.9 107.24 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.745 2.297 . . . . 0.0 111.675 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.491 ' HD3' ' HG2' ' A' ' 85' ' ' GLN . 60.7 tttm -92.0 -15.37 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.091 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' H ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.95 141.56 31.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -121.9 -78.16 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.192 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.37 95.88 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.243 -0.885 . . . . 0.0 109.897 -179.186 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.53 -66.83 0.44 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.674 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -47.18 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m 63.14 171.42 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 O-C-N 123.344 0.403 . . . . 0.0 112.058 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 m80 68.41 160.29 0.18 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.446 0.699 . . . . 0.0 112.595 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -157.84 153.0 25.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.494 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -130.09 168.95 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.995 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 73.58 13.34 4.46 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.917 0.76 . . . . 0.0 111.502 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -90.09 101.91 14.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -124.56 86.87 2.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.446 ' OG ' ' HE2' ' B' ' 32' ' ' LYS . 3.6 t -151.77 33.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.887 ' HA ' ' HA ' ' A' ' 77' ' ' ASP . 4.6 m -54.17 155.82 3.45 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.129 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.85 -174.28 45.49 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.983 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.631 ' H ' HD13 ' A' ' 82' ' ' ILE . 9.9 ptp85 -150.68 150.97 31.77 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.78 80.87 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -168.32 154.36 7.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.524 -171.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.6 tp 76.09 151.42 0.12 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.233 0.958 . . . . 0.0 111.878 172.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -143.2 178.85 7.43 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.676 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 64.1 m-85 -84.65 7.55 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -72.61 -25.05 61.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.372 0.606 . . . . 0.0 110.168 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.2 118.66 0.66 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.1 mtt -117.47 179.52 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 0.0 111.289 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -125.11 -179.02 4.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.174 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.34 -46.35 87.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.808 -173.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 -16.68 64.51 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.425 ' O ' HG21 ' B' ' 30' ' ' VAL . . . -61.59 -31.3 71.35 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.788 0.328 . . . . 0.0 111.344 -177.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.27 69.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.352 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.1 -40.14 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.24 -31.99 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.496 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.425 HG21 ' O ' ' B' ' 26' ' ' ALA . 62.1 t -62.24 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.224 0.535 . . . . 0.0 109.837 173.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.49 -40.23 95.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.315 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.446 ' HE2' ' OG ' ' B' ' 11' ' ' SER . 40.1 ttmt -53.1 -47.01 68.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.569 -176.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.62 -38.65 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 111.627 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.56 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.454 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -74.69 -29.56 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.692 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.517 ' O ' HG23 ' B' ' 40' ' ' THR . . . -55.23 -41.35 71.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.133 0.492 . . . . 0.0 109.769 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.62 HD21 HG12 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -54.84 -51.81 64.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.883 174.473 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HG ' HD11 ' B' ' 42' ' ' ILE . 8.0 tt -62.19 -31.01 71.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.219 0.533 . . . . 0.0 110.888 -176.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -85.05 -47.53 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.517 HG23 ' O ' ' B' ' 36' ' ' ALA . 11.0 t -107.27 -7.17 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -171.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.728 ' HB2' ' HB ' ' A' ' 40' ' ' THR . . . -110.59 -9.15 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.986 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.471 HD11 ' HG ' ' B' ' 38' ' ' LEU . 55.5 mt -103.65 140.74 20.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.506 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -115.86 138.13 51.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.558 -177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.94 128.48 61.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.598 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.554 HG22 ' HB2' ' B' ' 53' ' ' HIS . 6.8 m -100.81 105.99 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.526 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.6 p -108.76 139.72 43.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.096 -172.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.7 170.88 15.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.436 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.18 -71.78 0.11 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.441 0.639 . . . . 0.0 111.05 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -115.3 -2.71 12.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.352 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.37 -124.28 0.81 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.399 -177.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.62 -149.98 13.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.786 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -145.46 145.61 31.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.554 ' HB2' HG22 ' B' ' 45' ' ' VAL . 55.9 m-70 -119.66 110.75 17.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.285 0.564 . . . . 0.0 110.419 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' B' ' 62' ' ' SER . 35.9 t30 -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.662 ' HG2' ' HB3' ' B' ' 62' ' ' SER . 42.8 mt-30 -102.75 117.37 34.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.7 112.48 6.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -82.97 72.29 10.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -170.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -178.99 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.886 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.9 t -94.91 -15.62 23.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.22 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.94 30.92 62.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.21 135.97 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.662 ' HB3' ' HG2' ' B' ' 55' ' ' GLN . 38.9 p -125.76 146.35 49.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.481 . . . . 0.0 111.467 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.728 ' HB ' HG13 ' B' ' 72' ' ' ILE . 10.2 p -130.86 143.49 49.59 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.952 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.75 5.28 0.28 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.184 2.59 . . . . 0.0 113.84 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 56.4 t-105 75.73 -52.63 0.63 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.507 0.723 . . . . 0.0 112.54 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' B' ' 66' ' ' LEU . 3.9 mm? -57.46 -39.18 75.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.61 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.469 HG21 ' O ' ' B' ' 71' ' ' GLU . 6.3 t -178.95 148.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.711 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.73 -7.86 35.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.582 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.15 -61.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.469 ' O ' HG21 ' B' ' 68' ' ' THR . 9.6 tp10 -95.1 77.38 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.551 0.691 . . . . 0.0 111.966 -173.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.728 HG13 ' HB ' ' B' ' 63' ' ' VAL . 0.0 OUTLIER -95.96 152.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.518 ' N ' HD12 ' B' ' 72' ' ' ILE . 12.9 tptm -50.61 108.3 0.22 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.467 ' CD2' HG13 ' B' ' 81' ' ' VAL . 7.5 p-80 -113.43 152.6 29.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.699 -162.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.3 124.58 28.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 165.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -80.21 1.87 26.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.502 0.668 . . . . 0.0 111.137 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.52 1.33 53.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.818 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.06 123.65 56.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.615 ' HB2' HG22 ' A' ' 33' ' ' ILE . 19.2 Cg_endo -60.43 -30.13 90.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.034 2.489 . . . . 0.0 112.414 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.62 HG12 HD21 ' B' ' 37' ' ' LEU . 60.1 t -59.69 -30.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 110.682 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.467 HG13 ' CD2' ' B' ' 74' ' ' HIS . 89.4 t -72.83 -51.39 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.02 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 86' ' ' ILE . 1.3 pp -65.17 -32.17 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.2 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.446 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 99.1 mttt -64.03 -38.27 90.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.174 0.512 . . . . 0.0 110.275 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.92 -34.47 77.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.28 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.8 mt -75.37 -42.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.4 pp -76.48 5.56 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -173.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.6 t -67.36 175.55 2.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.498 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m 62.78 -153.06 0.34 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 50.34 83.39 0.22 Allowed Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 122.92 0.488 . . . . 0.0 112.075 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.87 121.36 7.82 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.925 2.416 . . . . 0.0 112.562 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -166.39 137.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.12 77.37 1.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -169.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 55.69 103.32 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 167.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.51 102.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.242 0.707 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.346 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 44' ' ' ILE . 15.9 tpt . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.0 147.4 36.36 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.005 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -107.05 155.61 19.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.732 0.301 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 t -136.47 126.35 25.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -122.3 -50.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m80 57.71 98.84 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 171.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.75 83.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.043 170.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -174.97 41.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.83 -171.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -72.31 176.01 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.691 -173.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -142.22 161.7 37.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 p -71.8 159.84 33.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 t -94.31 157.72 15.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.46 169.58 40.07 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -164.32 114.19 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -131.54 172.06 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.523 0.201 . . . . 0.0 110.492 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.577 ' OD1' ' HD3' ' B' ' 90' ' ' ARG . 7.9 t30 -65.28 160.82 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 172.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -48.15 98.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.583 0.552 . . . . 0.0 111.871 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -99.54 23.62 9.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 122.087 0.946 . . . . 0.0 109.73 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.601 ' HB3' ' HB1' ' B' ' 26' ' ' ALA . 89.5 m-85 -79.84 19.26 0.7 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.594 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -71.66 -46.89 57.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.96 144.59 12.8 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.566 ' HE2' ' HA ' ' A' ' 19' ' ' PHE . 22.3 mmt -117.77 -179.44 3.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.072 0.436 . . . . 0.0 110.858 -177.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -157.99 -167.74 2.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -44.51 -63.33 0.92 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.192 0.997 . . . . 0.0 113.256 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -70.47 -23.14 62.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.717 -171.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.53 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.952 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -51.25 61.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.361 -177.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.4 -35.43 79.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.657 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.52 -46.04 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.037 0.446 . . . . 0.0 110.307 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.77 -36.96 77.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.186 0.517 . . . . 0.0 110.089 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.621 ' HZ1' ' HB2' ' A' ' 32' ' ' LYS . 4.5 ttmp? -62.37 -55.4 28.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.18 -35.06 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.54 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.37 93.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.016 0.436 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -69.13 -36.37 77.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.15 -50.82 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.276 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD23 ' O ' ' B' ' 33' ' ' ILE . 4.2 pp -64.72 -32.83 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.04 -48.83 69.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -69.18 -17.93 63.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.87 -177.014 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 41' ' ' ALA . 5.8 m -96.56 -29.34 13.93 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.034 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 -18.58 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.81 100.14 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.986 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -143.57 152.07 40.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.298 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' A' ' 1' ' ' MET . 42.3 pt -87.92 121.32 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.387 0.613 . . . . 0.0 110.918 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.51 142.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.997 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -84.47 131.87 34.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.299 0.571 . . . . 0.0 111.726 -174.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -98.55 132.22 44.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.949 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.53 -19.07 65.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.491 0.662 . . . . 0.0 109.926 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.08 -30.8 60.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.916 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 35.6 1.48 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.853 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.6 -155.83 7.26 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 121.098 -0.573 . . . . 0.0 111.834 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.24 149.0 20.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.023 0.439 . . . . 0.0 111.205 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -124.58 134.45 52.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.619 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 51.7 t-20 -90.84 106.48 18.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -122.91 119.74 31.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.419 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.3 p -70.94 119.83 15.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.305 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' B' ' 40' ' ' THR . 20.5 mtpp -77.59 4.39 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.481 HD21 HG22 ' A' ' 80' ' ' VAL . 12.3 tp -106.05 -10.62 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.4 m -145.59 -32.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.152 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -6.61 35.14 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.388 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.84 147.29 37.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.615 0.245 . . . . 0.0 110.676 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.2 m -114.13 147.87 38.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.751 ' HB ' HD13 ' A' ' 72' ' ' ILE . 10.0 p -137.76 154.18 74.51 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.59 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 65.3 Cg_exo -38.53 128.04 1.12 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.78 2.32 . . . . 0.0 112.638 170.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 5.0 p90 -65.7 163.89 15.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.133 -175.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 66' ' ' LEU . 1.9 tm? 76.6 -34.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.335 0.654 . . . . 0.0 111.297 174.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -77.4 173.69 11.66 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.732 0.301 . . . . 0.0 111.218 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.4 t -71.98 -17.74 62.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.69 67.28 2.1 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.95 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.97 -10.07 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.886 0.851 . . . . 0.0 109.619 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -93.7 13.06 23.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.751 HD13 ' HB ' ' A' ' 63' ' ' VAL . 35.1 mm -72.76 129.76 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.098 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -68.89 102.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -105.73 161.25 14.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.597 -163.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 78' ' ' CYS . . . -70.29 151.7 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.283 170.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.4 -43.08 99.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.995 0.426 . . . . 0.0 111.59 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -104.38 15.62 27.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.502 -174.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 50.0 t -54.66 124.6 50.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.011 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.518 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . 52.4 Cg_exo -54.52 -31.63 70.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.34 2.693 . . . . 0.0 113.296 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG22 HD21 ' A' ' 58' ' ' LEU . 85.0 t -59.71 -40.09 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.11 0.481 . . . . 0.0 110.549 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 t -67.97 -41.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.179 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.93 -48.35 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.76 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.723 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.05 -40.04 94.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.441 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -61.92 -45.56 93.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.41 -46.38 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.14 -14.43 61.82 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.678 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 m -90.53 -29.3 17.96 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.366 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p 59.57 164.54 0.05 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 112.593 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 55.08 79.39 0.34 Allowed Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.02 129.45 15.25 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.348 2.032 . . . . 0.0 112.732 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -118.98 99.46 6.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.35 100.96 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -100.53 -25.22 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.374 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.15 145.68 46.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.727 179.138 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.577 0.227 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.48 -111.31 2.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.781 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -124.01 25.88 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 7.7 m -57.78 112.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.432 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 73.38 -44.6 0.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.9 0.88 . . . . 0.0 111.611 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -79.18 104.32 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.757 0.313 . . . . 0.0 110.366 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -82.12 124.91 30.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.134 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -79.08 -31.55 44.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -165.54 154.71 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -103.02 -67.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.058 0.456 . . . . 0.0 110.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -98.31 109.33 22.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.214 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 30.9 m -127.37 47.72 2.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.119 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.29 68.03 1.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.399 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -119.56 120.04 35.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.25 166.84 10.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.18 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.07 177.98 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.776 173.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 tp -118.19 30.91 6.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.111 0.481 . . . . 0.0 110.241 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 18.1 t80 65.03 162.24 0.13 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.393 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.697 ' HA ' ' HE3' ' B' ' 22' ' ' MET . 99.1 m-85 -58.96 -29.07 66.89 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.73 -15.44 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.715 0.293 . . . . 0.0 111.624 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.92 -64.34 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.507 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.697 ' HE3' ' HA ' ' B' ' 19' ' ' PHE . 18.3 mmt 69.1 160.32 0.19 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.689 0.796 . . . . 0.0 112.36 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' B' ' 24' ' ' ASP . 12.2 t -158.29 39.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.945 0.878 . . . . 0.0 110.072 -174.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' B' ' 23' ' ' THR . 21.4 t70 79.35 -33.93 0.15 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.27 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -56.92 -17.94 11.49 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' SD ' ' B' ' 22' ' ' MET . . . -56.75 -35.56 68.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.432 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.89 68.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.472 . . . . 0.0 110.643 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -49.81 11.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.788 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -62.49 -39.76 94.52 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.17 -41.59 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.428 . . . . 0.0 110.406 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -37.74 86.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 0.0 110.025 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 35.6 ttmt -57.5 -55.51 33.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.329 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' HB3' ' A' ' 79' ' ' PRO . 36.5 pt -69.18 -32.88 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.37 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -65.91 -44.56 84.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -58.57 -29.03 66.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.535 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -43.46 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.062 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.651 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.5 pp -77.37 -24.56 50.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 0.0 110.809 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.9 -32.43 65.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.569 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.38 -58.07 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.451 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 3.3 t -176.18 85.51 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.065 0.936 . . . . 0.0 110.946 177.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.651 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.48 -27.95 14.2 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.181 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.2 mt -87.54 155.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.54 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.1 146.4 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.79 -174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.543 HG22 ' HB1' ' B' ' 52' ' ' ALA . 9.2 mm -98.75 117.4 43.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.013 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' B' ' 53' ' ' HIS . 17.5 m -99.41 120.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.4 m -95.31 141.37 28.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.257 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.44 160.6 14.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.612 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.73 -40.68 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.594 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -57.15 -51.8 67.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.128 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.65 70.37 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.771 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.36 -175.04 47.14 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -151.12 171.29 17.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.581 0.229 . . . . 0.0 110.546 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.424 ' HB2' HG23 ' B' ' 45' ' ' VAL . 90.5 m-70 -137.47 137.11 38.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.431 ' HB3' HG11 ' B' ' 63' ' ' VAL . 61.0 t30 -117.86 105.29 11.79 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -114.17 127.41 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 111.705 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.5 t -86.3 112.87 21.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.875 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.4 OUTLIER -75.57 -21.15 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.356 . . . . 0.0 111.047 -170.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -84.54 -21.54 30.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -111.54 -30.11 7.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.36 6.95 73.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.615 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.32 138.81 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.643 0.258 . . . . 0.0 110.438 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -127.53 133.6 49.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' B' ' 67' ' ' GLN . 4.7 p -129.24 122.08 20.88 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.02 92.85 0.72 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.245 1.963 . . . . 0.0 113.56 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 15.9 t90 51.82 -93.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.751 171.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.69 94.64 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.535 0.683 . . . . 0.0 110.84 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.469 ' HB3' ' CG2' ' B' ' 63' ' ' VAL . 7.4 tp-100 -141.41 168.22 20.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.392 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.459 ' HG1' ' CD ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER -64.23 -47.67 78.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.68 0.276 . . . . 0.0 111.381 -178.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.21 -52.99 0.72 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.085 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.473 ' OD1' ' HD2' ' B' ' 74' ' ' HIS . 25.2 t70 -84.87 14.2 5.08 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.392 0.596 . . . . 0.0 111.693 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.459 ' CD ' ' HG1' ' B' ' 68' ' ' THR . 4.5 mp0 -75.39 -6.19 48.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tp -103.8 -5.18 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.45 0.643 . . . . 0.0 109.493 174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.896 ' HA ' ' HE3' ' B' ' 73' ' ' LYS . 0.9 OUTLIER 65.07 108.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.047 -179.102 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.473 ' HD2' ' OD1' ' B' ' 70' ' ' ASP . 20.2 p80 -57.18 129.07 40.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.562 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.88 117.0 29.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.754 175.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.511 ' HA ' HG22 ' B' ' 81' ' ' VAL . 74.8 m-20 -80.77 -7.54 59.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.769 -172.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.2 -1.34 32.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 70.7 m -90.65 136.04 28.46 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.96 -21.09 56.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.196 2.597 . . . . 0.0 112.765 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.06 -30.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' B' ' 76' ' ' ASP . 60.3 t -73.29 -34.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 109.914 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.471 ' O ' HG13 ' B' ' 86' ' ' ILE . 41.1 mm -57.86 -47.35 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.872 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.71 78.06 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.104 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.47 -38.78 81.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.325 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.54 -34.04 60.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 82' ' ' ILE . 71.4 mt -65.67 -44.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.62 -1.67 32.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.201 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -96.11 19.44 11.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.468 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p -80.7 73.62 7.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.166 0.508 . . . . 0.0 111.398 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.577 ' HD3' ' OD1' ' A' ' 16' ' ' ASN . 34.5 mtp-105 61.12 84.98 0.19 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.942 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -86.86 -172.23 0.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.764 2.309 . . . . 0.0 111.6 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -83.18 61.63 6.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 49.1 tp 55.3 -98.66 0.09 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.396 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 178.91 94.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.22 116.5 28.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.255 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.248 -179.848 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.901 0.382 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.76 57.48 0.46 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -92.95 -44.3 8.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.578 0.228 . . . . 0.0 110.752 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.1 m -68.07 100.59 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -143.94 83.44 1.75 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.19 106.93 13.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -167.45 136.12 2.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.828 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -141.31 105.51 4.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -65.65 100.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.551 0.691 . . . . 0.0 110.805 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -126.61 87.28 2.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.743 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -110.0 135.96 50.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.528 ' HA ' ' OXT' ' B' ' 96' ' ' VAL . 4.9 t -65.46 135.81 55.66 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 -176.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.86 162.57 17.38 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.149 -174.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -144.04 95.81 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.962 0.41 . . . . 0.0 109.962 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -142.6 -85.04 0.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -131.66 121.34 24.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -144.55 -83.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.213 0.53 . . . . 0.0 111.131 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -81.12 179.22 7.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.102 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.526 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 97.5 m-85 -54.2 152.09 6.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 8.7 tt0 76.02 6.78 3.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.034 0.834 . . . . 0.0 110.071 -175.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.58 64.87 0.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.786 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.526 ' SD ' ' HA ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -106.9 129.85 54.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 -178.057 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -103.89 -68.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.101 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -161.96 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -59.85 -22.58 62.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.38 -20.72 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.233 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HA ' ' CZ ' ' B' ' 19' ' ' PHE . . . -72.79 -29.2 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.066 0.46 . . . . 0.0 110.485 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -71.23 -33.28 69.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.917 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' HD11 ' B' ' 86' ' ' ILE . 22.1 t70 -73.52 -53.62 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.392 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.2 m -67.46 -32.99 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.754 -177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.726 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.1 ttp180 -68.35 -30.17 69.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.258 0.551 . . . . 0.0 109.87 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 21.0 ttmm -69.6 -50.4 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.614 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.497 HD11 HD13 ' B' ' 86' ' ' ILE . 31.0 pt -65.73 -33.55 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.729 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.73 82.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.241 0.543 . . . . 0.0 110.724 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -74.76 -38.99 62.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.9 94.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.925 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.627 ' HA ' HG22 ' A' ' 40' ' ' THR . 4.6 pp -66.74 -24.9 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.49 -31.95 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.692 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.0 -16.87 39.38 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.372 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.0 t -97.54 -17.0 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.566 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.21 -14.54 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.767 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.2 mm -112.94 91.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.916 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.82 152.36 49.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.417 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 52' ' ' ALA . 12.6 tt -126.95 122.27 59.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.643 0.735 . . . . 0.0 111.598 -174.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' A' ' 53' ' ' HIS . 2.5 m -96.82 106.46 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.006 173.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 34.0 t -100.21 139.64 35.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.22 0.533 . . . . 0.0 111.084 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.16 141.64 32.89 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.02 -36.75 75.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.113 0.483 . . . . 0.0 110.278 -173.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.36 107.0 2.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.043 171.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.97 -17.51 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.048 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.04 138.51 3.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.134 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.781 ' HB3' HD12 ' A' ' 44' ' ' ILE . . . -98.4 135.27 40.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.764 0.316 . . . . 0.0 110.422 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.505 ' HB2' HG22 ' A' ' 45' ' ' VAL . 78.7 m-70 -115.57 108.31 16.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.878 -175.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.569 ' H ' ' CG2' ' A' ' 63' ' ' VAL . 6.8 t30 -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -107.22 113.64 27.19 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.45 0.643 . . . . 0.0 110.983 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.893 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 43.1 t -99.79 89.09 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.23 23.85 9.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.498 -171.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -74.24 -48.75 26.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.9 p -115.04 -53.08 2.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.104 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.12 69.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.391 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.893 ' HB3' ' HB3' ' A' ' 56' ' ' CYS . . . -117.7 159.04 23.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.591 0.234 . . . . 0.0 110.584 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -100.31 -169.95 1.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 111.429 -174.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.569 ' CG2' ' H ' ' A' ' 54' ' ' ASN . 1.5 p -96.13 119.54 64.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.152 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -88.24 6.4 4.89 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.271 2.647 . . . . 0.0 113.068 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.452 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 33.0 t-105 -75.18 -151.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.57 65.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.408 0.623 . . . . 0.0 110.819 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -164.76 150.03 9.82 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -74.82 81.98 2.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.92 14.31 1.52 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.771 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.79 -31.56 71.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.36 0.6 . . . . 0.0 109.784 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.52 91.03 6.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.0 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.612 HG12 ' HA ' ' A' ' 61' ' ' ALA . 10.8 tp -158.82 153.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.001 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 5.8 tptm -110.16 161.91 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -97.42 0.31 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.324 -0.15 . . . . 0.0 110.953 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 78' ' ' CYS . . . 77.04 132.24 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.328 1.017 . . . . 0.0 110.331 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.11 -20.9 55.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.1 14.56 23.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.35 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.562 ' SG ' HG21 ' A' ' 80' ' ' VAL . 32.1 p -66.93 158.72 79.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.81 -26.36 15.88 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.945 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.562 HG21 ' SG ' ' A' ' 78' ' ' CYS . 29.7 m -67.82 -30.57 48.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' SG ' ' A' ' 78' ' ' CYS . 15.8 m -64.51 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.775 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 86' ' ' ILE . 51.9 mm -68.41 -44.87 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.064 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.23 87.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.95 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -63.59 -37.48 87.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.477 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.01 -37.78 84.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 82' ' ' ILE . 71.5 mt -70.54 -42.13 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.498 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.726 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -73.84 -17.37 61.07 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -78.72 -32.71 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.387 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 48.7 m 62.63 -174.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.375 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 89' ' ' SER . 68.5 mtp180 70.04 151.77 0.13 Allowed Pre-proline 0 N--CA 1.466 0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.358 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 92' ' ' LYS . 37.8 Cg_endo -69.37 171.73 13.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.536 2.158 . . . . 0.0 110.798 168.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 91' ' ' PRO . 28.7 mtpp 71.51 155.7 0.15 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.814 0.697 . . . . 0.0 110.756 -173.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.0 mt 68.19 153.97 0.1 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.792 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -164.94 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.197 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.21 -168.64 0.2 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.278 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.706 178.629 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' B' ' 70' ' ' ASP . 88.5 mtp . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.9 16.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.85 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -96.58 126.55 41.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.929 0.395 . . . . 0.0 110.745 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.8 m -148.15 95.96 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.165 0.507 . . . . 0.0 109.99 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -84.1 -22.89 30.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.729 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -78.9 83.37 5.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.658 0.742 . . . . 0.0 112.931 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -139.73 72.0 1.39 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 165.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -93.92 115.69 28.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.736 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -172.25 103.4 0.17 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.004 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -78.31 88.69 4.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.335 0.588 . . . . 0.0 111.232 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.7 m -146.46 96.12 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -89.45 107.82 19.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.31 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.39 173.75 43.28 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.812 -0.708 . . . . 0.0 113.73 172.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.637 ' HB2' ' HB ' ' B' ' 25' ' ' THR . 0.6 OUTLIER -142.24 -74.45 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -142.8 117.22 9.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.687 -1.142 . . . . 0.0 107.951 170.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -141.54 131.28 24.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.438 0.637 . . . . 0.0 111.656 -175.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.8 30.03 7.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.773 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 33.1 t80 53.03 78.16 0.15 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.012 -170.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 27' ' ' ALA . 97.3 m-85 69.35 178.98 0.25 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.135 -176.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.66 -62.67 0.18 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.278 0.631 . . . . 0.0 109.958 -166.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.4 87.39 0.61 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.403 ' HE1' ' HB1' ' B' ' 26' ' ' ALA . 3.8 tpt -134.23 125.6 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 11.8 t -123.98 -171.18 2.27 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.84 -54.42 15.3 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.708 1.203 . . . . 0.0 114.027 -173.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.637 ' HB ' ' HB2' ' B' ' 14' ' ' ARG . 1.5 m -70.41 -1.39 10.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -168.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.403 ' HB1' ' HE1' ' B' ' 22' ' ' MET . . . -80.36 -23.21 40.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.224 0.535 . . . . 0.0 109.933 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.89 -26.63 66.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.569 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -51.82 -53.04 44.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.3 -44.43 52.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.855 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.79 -42.42 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' B' ' 87' ' ' LEU . 82.3 mtp180 -68.76 -30.27 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.076 -0.39 . . . . 0.0 110.789 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -65.47 -46.59 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.017 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.4 pt -65.96 -32.82 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.33 -32.91 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.219 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -73.81 -30.48 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 0.0 110.813 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.33 86.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.882 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.99 -25.14 65.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 111.33 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' B' ' 84' ' ' LYS . 6.7 tt -77.75 -31.49 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.256 0.551 . . . . 0.0 109.546 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -76.93 -51.8 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.5 t -154.96 82.03 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.016 0.912 . . . . 0.0 112.015 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.1 17.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.52 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.403 HG21 ' OD1' ' B' ' 54' ' ' ASN . 39.9 mt -123.96 126.45 72.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.419 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -106.64 166.97 10.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.279 0.561 . . . . 0.0 111.784 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.512 HD11 ' O ' ' B' ' 44' ' ' ILE . 1.8 pp -111.63 134.78 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.697 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 m -104.8 121.37 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.262 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 5.0 m -102.52 124.24 47.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.05 0.452 . . . . 0.0 111.842 -172.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.83 133.46 44.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.883 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.6 -40.37 78.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.095 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -116.2 116.32 27.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.431 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -63.77 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.091 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.78 175.1 14.06 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -91.72 127.12 37.06 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.823 0.344 . . . . 0.0 110.086 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.534 ' HB3' ' HB2' ' B' ' 62' ' ' SER . 87.2 m-70 -107.53 126.14 52.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.834 -176.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.403 ' OD1' HG21 ' B' ' 42' ' ' ILE . 5.7 t-20 -87.09 105.95 17.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 174.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.74 120.02 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 112.143 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.5 t -74.74 108.64 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.794 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -60.8 -35.17 75.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.937 -175.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.47 HD12 ' HG2' ' B' ' 79' ' ' PRO . 95.3 mt -96.38 8.32 44.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.4 t -134.5 -27.08 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.58 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.66 48.7 7.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.369 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.8 138.79 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' B' ' 53' ' ' HIS . 2.2 p -113.53 137.98 50.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.025 0.441 . . . . 0.0 111.598 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.64 144.92 45.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.287 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -42.81 140.98 2.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.253 2.635 . . . . 0.0 112.889 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 13.4 p-90 -65.28 174.67 1.98 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp 80.36 -31.05 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.815 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -92.84 173.86 7.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.713 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.979 ' HB ' ' HG3' ' B' ' 71' ' ' GLU . 15.5 m -84.43 137.55 33.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.694 -177.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.37 -22.97 66.07 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.241 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.716 ' HA ' ' HE1' ' B' ' 74' ' ' HIS . 35.2 t70 -98.27 14.46 27.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.366 0.603 . . . . 0.0 110.831 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.979 ' HG3' ' HB ' ' B' ' 68' ' ' THR . 33.9 mt-10 -81.55 -28.28 33.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.379 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 11.1 tt -86.02 136.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 30.9 mmtp -61.52 132.75 54.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 111.05 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.716 ' HE1' ' HA ' ' B' ' 70' ' ' ASP . 34.6 m80 -109.04 177.6 4.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.212 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 147.24 42.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.662 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.0 -13.35 60.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.78 0.8 . . . . 0.0 108.986 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.17 -5.66 58.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.543 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.482 ' SG ' HG22 ' B' ' 81' ' ' VAL . 16.3 p -92.54 144.19 28.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 -174.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.47 ' HG2' HD12 ' B' ' 58' ' ' LEU . 21.1 Cg_endo -62.95 -16.93 57.35 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.03 2.487 . . . . 0.0 112.818 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.433 HG21 ' HB2' ' B' ' 58' ' ' LEU . 60.5 t -58.94 -46.5 91.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.19 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.482 HG22 ' SG ' ' B' ' 78' ' ' CYS . 94.9 t -65.16 -40.63 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.3 mm -59.04 -50.32 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.243 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.37 -51.88 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.666 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 56.3 pttt -71.07 -26.74 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 111.447 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -61.0 -39.8 91.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.56 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.497 HD13 HD11 ' A' ' 33' ' ' ILE . 77.6 mt -74.99 -43.3 45.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.671 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.666 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -67.06 -16.46 64.36 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.849 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.1 m -85.78 96.32 9.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 6.1 p -65.01 114.48 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.047 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' B' ' 90' ' ' ARG . 6.1 mtp180 63.56 74.82 0.42 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.86 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.59 167.3 10.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.183 1.922 . . . . 0.0 110.975 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -85.64 -6.82 59.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 110.579 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.74 139.51 32.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.569 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -129.64 132.28 46.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.498 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.81 159.93 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.531 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.528 ' OXT' ' HA ' ' A' ' 12' ' ' SER . 47.2 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.878 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.607 0.241 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.89 119.01 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.216 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -101.38 2.74 39.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.541 . . . . 0.0 110.613 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.0 t -111.07 124.64 52.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -146.57 142.28 27.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.765 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -82.44 149.17 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.33 -11.83 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.528 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 93.5 m-70 -125.09 -68.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.739 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.2 p80 47.41 42.39 14.11 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.553 0.692 . . . . 0.0 111.302 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.6 t60 68.06 31.68 5.34 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.092 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -86.37 -6.65 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 109.341 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -147.12 171.46 15.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.132 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.8 64.52 0.82 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.383 -177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -87.52 -6.79 58.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.44 160.66 33.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.068 -171.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -118.19 139.13 51.73 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -127.06 -169.64 2.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.83 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.899 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.83 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' OE1' ' HB2' ' A' ' 8' ' ' HIS . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 1.104 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.783 HD12 HD21 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.713 HG23 HG21 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG21 ' HB2' ' A' ' 52' ' ' ALA . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.63 106.38 19.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 m -97.21 160.4 14.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.241 -171.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.73 143.57 26.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.019 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.799 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -99.99 -34.1 10.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.92 -122.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.509 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.83 -167.17 12.38 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.269 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -79.66 147.71 31.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.111 0.482 . . . . 0.0 111.506 -176.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.52 133.24 34.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.547 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.655 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 27.4 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.626 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.655 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 94.36 174.64 38.85 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.9 t70 70.73 -56.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.328 0.564 . . . . 0.0 111.424 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -75.82 71.32 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.736 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.3 pt -131.59 106.53 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.334 0.587 . . . . 0.0 111.07 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.6 103.52 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.775 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -108.0 -7.49 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.503 ' HA ' HG23 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.633 HD12 HD21 ' B' ' 16' ' ' ASN . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB3' HG23 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.758 ' HD2' HD12 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 1.104 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 53.83 80.9 0.27 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.85 -168.69 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.317 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -72.58 81.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.752 . . . . 0.0 110.438 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -143.6 138.62 29.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.32 105.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.149 0.5 . . . . 0.0 111.536 -174.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.01 134.69 22.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.739 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.233 -177.792 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.82 41.93 0.21 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.92 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -84.22 80.71 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 111.552 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 12.0 m -77.96 110.37 12.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -129.01 111.09 12.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -122.54 146.32 47.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -80.43 167.86 19.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -173.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -153.81 107.2 2.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 0.0 109.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -109.86 12.36 23.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -122.69 112.15 17.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.873 0.368 . . . . 0.0 110.968 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -148.43 118.63 7.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.685 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -146.05 83.33 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.25 0.548 . . . . 0.0 110.543 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.44 54.29 0.72 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.94 -28.65 60.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.848 0.356 . . . . 0.0 111.448 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -99.71 104.27 15.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.306 -173.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.633 HD21 HD12 ' A' ' 82' ' ' ILE . 44.1 t-20 -144.87 117.37 8.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.046 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.1 67.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 66.52 145.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.522 ' HE1' ' ND2' ' B' ' 16' ' ' ASN . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.899 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.608 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.416 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.416 ' HB3' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.733 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.733 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.713 HG21 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.476 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.54 HG21 HD12 ' B' ' 72' ' ' ILE . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.611 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.63 -29.96 8.56 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.3 t70 66.61 10.23 7.25 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 111.208 173.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.68 9.1 0.76 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.168 0.987 . . . . 0.0 112.831 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.54 HD12 HG21 ' B' ' 63' ' ' VAL . 44.0 mm 62.18 100.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.197 0.311 . . . . 0.0 110.59 -175.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 31.6 mmtp -59.04 126.1 26.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.319 0.581 . . . . 0.0 109.912 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -144.23 166.47 24.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.024 -163.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.466 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.508 ' HB2' HG21 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG21 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.586 HG11 HD11 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.51 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p -71.67 92.64 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 37.0 ptt180 -157.75 136.3 7.75 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.984 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 4.8 Cg_exo -74.82 92.6 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.555 2.17 . . . . 0.0 111.172 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -84.64 98.99 10.5 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt -121.96 87.81 2.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.537 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -138.91 91.43 2.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.76 108.96 17.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.76 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.253 1.256 0 O-C-N 123.744 0.653 . . . . 0.0 110.931 -177.607 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.922 0.392 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.09 116.46 3.97 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.071 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -158.83 82.15 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.376 0.607 . . . . 0.0 111.393 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 p -83.86 90.56 7.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.954 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -132.21 99.16 4.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -173.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -69.14 139.14 54.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -150.13 31.68 0.68 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.932 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -173.97 90.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.551 0.215 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -109.67 82.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.467 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -168.56 116.78 0.69 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -111.86 156.58 21.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -152.74 133.71 14.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.632 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.58 -131.61 7.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.916 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 14' ' ' ARG . 18.1 mmt180 69.16 15.75 8.62 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.71 0.404 . . . . 0.0 111.836 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 134.52 49.52 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -150.21 20.85 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.642 0.258 . . . . 0.0 111.536 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -92.98 -170.79 2.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.846 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -169.6 173.25 6.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.092 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.33 71.78 3.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.911 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' HA ' HG21 ' B' ' 23' ' ' THR . 39.5 mt-30 -123.91 -5.4 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.251 0.548 . . . . 0.0 109.716 168.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.58 84.2 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.7 mmt -73.08 137.32 45.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.279 0.561 . . . . 0.0 112.113 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -78.53 169.64 17.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.0 -32.75 74.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.986 0.422 . . . . 0.0 111.015 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -61.62 -28.48 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.672 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -30.17 68.37 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.135 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -68.64 -28.24 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -79.89 -39.93 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.77 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -64.88 -49.98 68.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.27 -31.78 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.128 0.489 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 24.9 ttt85 -61.27 -36.4 79.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.57 -37.99 65.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.869 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.29 -44.63 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.676 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' HD21 ' A' ' 87' ' ' LEU . . . -61.34 -32.07 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.341 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.8 m -67.13 -32.75 74.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.461 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.5 pp -65.25 -24.94 67.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.58 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.615 HD13 HD22 ' A' ' 87' ' ' LEU . 87.2 mt -64.75 -34.53 78.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.093 0.473 . . . . 0.0 110.589 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -93.03 -54.87 3.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 p -88.87 -21.75 23.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -78.04 -12.61 60.0 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.601 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.3 mm -77.49 104.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.49 144.49 34.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.1 0.476 . . . . 0.0 111.241 -171.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 54' ' ' ASN . 42.6 mm -101.64 112.65 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.276 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 53' ' ' HIS . 7.7 m -98.5 105.37 17.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.683 0.754 . . . . 0.0 109.084 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 13.7 p -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.661 -172.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.49 157.01 26.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.137 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.64 -45.04 66.5 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 123.416 0.447 . . . . 0.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -163.0 111.69 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.379 172.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.58 -22.33 0.34 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.695 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.99 147.26 4.48 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.055 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.583 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -97.49 154.74 17.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.935 0.398 . . . . 0.0 109.95 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.544 ' HB2' HG22 ' A' ' 45' ' ' VAL . 77.3 m-70 -127.31 123.73 37.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.55 -175.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.586 ' HA ' HD12 ' A' ' 44' ' ' ILE . 48.4 t-20 -82.89 114.64 21.33 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -130.37 124.66 32.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.338 0.59 . . . . 0.0 112.188 -171.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.485 ' SG ' HD13 ' A' ' 72' ' ' ILE . 78.2 m -83.63 103.21 12.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 170.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -80.17 7.68 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 0.0 110.906 -173.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD23 HG23 ' A' ' 80' ' ' VAL . 10.9 tp -105.99 14.37 28.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.5 t -149.46 -41.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.264 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.89 -9.62 31.95 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.258 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.94 138.75 39.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.968 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 p -142.87 153.23 42.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.156 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 11.3 p -151.98 146.49 18.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 51.8 Cg_exo -40.05 126.56 1.9 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.925 2.417 . . . . 0.0 112.202 170.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.434 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 4.6 p-90 -63.95 -24.58 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.645 -172.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.1 tp -92.81 13.87 19.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.608 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -148.58 -87.59 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.23 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.491 ' H ' HG23 ' A' ' 68' ' ' THR . . . 107.66 -17.95 35.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.714 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -105.61 -27.9 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.214 0.531 . . . . 0.0 110.43 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HB3' HG22 ' A' ' 68' ' ' THR . 42.2 tt0 -75.92 -7.23 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.102 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.485 HD13 ' SG ' ' A' ' 56' ' ' CYS . 17.7 pt -65.66 137.3 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.32 0.581 . . . . 0.0 111.455 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.15 115.84 23.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.135 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -77.47 165.98 23.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.163 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.83 40.4 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 169.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -75.63 -4.66 41.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.009 0.433 . . . . 0.0 111.408 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.18 -13.28 53.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.956 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 p -77.56 150.17 79.03 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.758 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.657 ' HB2' HG23 ' B' ' 33' ' ' ILE . 48.8 Cg_endo -68.92 -3.75 12.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.943 2.429 . . . . 0.0 113.306 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.483 HG23 HD23 ' A' ' 58' ' ' LEU . 48.4 t -63.02 -33.72 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.12 0.486 . . . . 0.0 110.4 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 43.6 t -61.62 -47.25 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.472 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.33 -41.24 91.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.401 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.81 93.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -61.0 -38.8 87.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.323 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 96.4 mt-30 -60.08 -45.56 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.757 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.3 -52.21 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.278 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 38' ' ' LEU . 4.2 pp -70.06 -18.82 63.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.437 -176.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -83.07 -41.4 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m 61.45 24.03 14.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.709 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -123.2 101.16 38.51 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.72 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 104.48 0.86 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.282 2.655 . . . . 0.0 112.227 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -94.84 105.34 17.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 tp 72.33 -66.56 0.3 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.573 0.749 . . . . 0.0 112.017 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -158.76 -39.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.304 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.65 -159.16 0.32 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.835 0.71 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.023 177.308 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.7 -160.08 12.57 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -101.16 119.78 39.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.175 0.488 . . . . 0.0 109.883 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -67.57 144.73 55.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.711 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.36 149.18 28.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.289 . . . . 0.0 110.484 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -137.03 150.19 47.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.923 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -156.03 -63.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.181 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -155.12 110.13 3.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -115.44 112.61 22.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.556 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -147.44 99.3 3.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.094 0.473 . . . . 0.0 110.46 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -78.01 72.46 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.353 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -85.77 129.8 34.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.424 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.47 -107.8 0.34 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 45.5 mtm105 69.16 31.42 4.02 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -86.0 75.17 10.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.521 0.677 . . . . 0.0 109.536 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -76.81 115.09 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.51 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.441 HD11 ' HA3' ' B' ' 21' ' ' GLY . 0.3 OUTLIER -131.76 -14.78 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.632 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' B' ' 22' ' ' MET . 63.4 t80 65.85 168.72 0.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.198 0.599 . . . . 0.0 110.558 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.1 149.88 14.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 111.734 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 61.87 89.4 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.273 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.441 ' HA3' HD11 ' B' ' 17' ' ' LEU . . . 137.67 -56.94 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -173.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 11.1 ptp -65.92 125.34 25.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.479 HG21 ' HA ' ' A' ' 20' ' ' GLN . 31.9 m -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.361 -170.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.21 -54.53 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -79.02 -5.26 53.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.614 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.91 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.154 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.28 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.325 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.7 OUTLIER -63.05 -51.33 67.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.86 -174.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.693 ' HA ' ' HZ3' ' B' ' 32' ' ' LYS . 30.1 m-20 -76.35 -40.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -176.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.88 -37.61 78.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.046 0.45 . . . . 0.0 110.527 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -63.45 -40.89 98.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.693 ' HZ3' ' HA ' ' B' ' 29' ' ' ASP . 38.0 mtmm -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.867 -175.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.657 HG23 ' HB2' ' A' ' 79' ' ' PRO . 38.1 pt -75.67 -33.27 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.87 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -71.34 -32.23 68.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.436 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 75.6 m -61.24 -31.05 70.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.163 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.14 73.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.384 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' B' ' 83' ' ' ALA . 4.4 pp -72.46 -24.52 61.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 110.608 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.696 ' HA ' ' HE2' ' B' ' 84' ' ' LYS . 9.6 tt -68.05 -38.87 82.95 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.997 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.2 OUTLIER -70.44 -57.23 5.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.908 -178.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.403 ' HG1' ' C ' ' B' ' 39' ' ' LYS . 6.2 m -161.33 84.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.98 -21.23 64.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' B' ' 56' ' ' CYS . 1.3 mt -126.72 -156.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -173.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.454 ' H ' HG23 ' B' ' 42' ' ' ILE . 41.3 mt-10 -103.43 142.56 34.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 0.0 111.747 -170.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.847 HD11 ' HB3' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -130.43 115.12 30.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.482 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.8 m -87.35 142.84 27.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.328 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.84 ' HG2' ' H ' ' B' ' 51' ' ' GLY . 0.0 OUTLIER -83.13 -175.56 5.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.534 0.683 . . . . 0.0 111.702 178.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.26 -23.22 14.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.61 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -165.87 101.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.786 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.18 -85.6 0.1 OUTLIER Glycine 0 C--N 1.317 -0.525 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.363 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . 0.84 ' H ' ' HG2' ' B' ' 47' ' ' GLU . . . 178.65 147.53 7.1 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.847 ' HB3' HD11 ' B' ' 44' ' ' ILE . . . -65.71 124.39 22.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.084 0.469 . . . . 0.0 110.735 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -132.47 138.64 47.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.739 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -91.46 133.32 35.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -108.74 104.45 13.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.909 ' HA ' HD11 ' B' ' 42' ' ' ILE . 73.4 m -78.11 86.56 4.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -60.84 -33.27 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.198 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 25.3 p -107.68 -29.58 9.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.482 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.55 33.06 7.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.26 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.12 155.2 31.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.649 0.261 . . . . 0.0 110.468 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -119.85 140.91 50.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.758 HG22 ' HD2' ' B' ' 64' ' ' PRO . 4.6 p -146.71 155.72 48.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.758 ' HD2' HG22 ' B' ' 63' ' ' VAL . 75.0 Cg_exo -51.44 168.85 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.648 2.232 . . . . 0.0 113.291 172.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -73.62 164.3 26.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 81.7 mt 60.85 26.37 16.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 60.72 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.861 -172.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m 57.29 28.13 14.76 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.893 0.854 . . . . 0.0 109.68 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.486 ' HA3' HG23 ' B' ' 63' ' ' VAL . . . -125.68 -128.43 3.21 Favored Glycine 0 N--CA 1.441 -1.017 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.344 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' B' ' 69' ' ' GLY . 9.8 m-20 70.32 -11.16 0.61 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.373 0.669 . . . . 0.0 111.304 -175.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' B' ' 69' ' ' GLY . 0.0 OUTLIER -84.93 -27.22 26.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.006 0.432 . . . . 0.0 110.039 173.383 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.69 125.62 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.91 118.39 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.37 0.605 . . . . 0.0 110.391 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -110.56 157.4 19.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.299 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 113.72 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.415 0.447 . . . . 0.0 109.84 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.534 ' HA ' HG23 ' B' ' 81' ' ' VAL . 82.3 m-20 -80.9 4.31 19.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.528 0.68 . . . . 0.0 110.45 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.42 -8.39 58.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.871 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.32 138.14 42.06 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.06 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.88 -15.54 47.98 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.496 . . . . 0.0 112.694 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.426 HG13 HD12 ' B' ' 37' ' ' LEU . 60.9 t -62.99 -36.16 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.534 HG23 ' HA ' ' B' ' 76' ' ' ASP . 44.0 t -71.91 -35.28 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.015 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.506 ' O ' HG13 ' B' ' 86' ' ' ILE . 25.3 mm -56.89 -50.64 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.532 ' HB3' HD11 ' B' ' 37' ' ' LEU . . . -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -177.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' B' ' 38' ' ' LEU . 84.0 mttt -63.34 -41.4 98.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.287 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -58.54 -42.41 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.947 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.4 mt -60.34 -50.65 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.383 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.9 -14.55 61.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 111.528 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.9 m -90.11 -4.39 57.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 71.2 m -66.66 -53.57 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.827 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 90' ' ' ARG . 37.4 ttp180 -155.13 89.9 3.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.155 0.502 . . . . 0.0 110.275 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -81.24 80.36 3.0 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.741 2.294 . . . . 0.0 113.101 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -157.17 177.38 11.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.525 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 61.4 tp 69.26 106.82 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.907 0.754 . . . . 0.0 111.602 177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -139.92 146.69 39.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.905 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 78.7 137.63 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.27 0.982 . . . . 0.0 112.299 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.406 177.096 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.783 ' HB2' HG21 ' A' ' 68' ' ' THR . 25.3 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.76 -156.44 8.95 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.049 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' SER . 17.5 m 63.14 -89.32 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.89 0.476 . . . . 0.0 110.852 -177.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' SER . 8.8 t 175.45 177.58 0.18 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -127.62 82.06 2.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.637 0.732 . . . . 0.0 110.594 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -45.4 138.15 4.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.008 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -163.06 10.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.389 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -88.53 78.96 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 110.972 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -154.09 -78.04 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.191 173.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m80 61.65 97.48 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.779 0.675 . . . . 0.0 111.574 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -70.12 154.45 41.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -113.48 147.58 37.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.956 0.408 . . . . 0.0 111.592 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.19 160.47 10.15 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -151.72 91.01 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.291 0.545 . . . . 0.0 110.297 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -90.27 131.59 36.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.427 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -122.92 81.49 1.88 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -132.35 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.183 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' B' ' 89' ' ' SER . 76.7 t80 -135.38 158.88 43.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.312 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -63.48 93.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 178.73 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.49 53.23 0.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.488 175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.8 mmt -85.24 114.12 22.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.608 0.242 . . . . 0.0 110.425 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.9 p -101.92 -169.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.04 -42.09 65.39 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.377 0.671 . . . . 0.0 111.954 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 p -77.87 -9.69 59.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -22.26 65.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.129 0.49 . . . . 0.0 110.377 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 31' ' ' ARG . . . -63.14 -27.63 69.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.991 177.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -51.32 59.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -70.81 -37.38 73.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.1 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.11 -37.62 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.535 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 29.0 ptt180 -74.51 -29.08 61.26 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.4 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 34.1 ttmt -53.81 -43.72 69.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.242 0.544 . . . . 0.0 110.083 173.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.621 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 39.2 mt -62.66 -44.28 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.269 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.84 -32.34 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.076 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 61.5 m -58.29 -30.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB3' HD22 ' B' ' 58' ' ' LEU . . . -62.15 -47.2 85.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.011 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.743 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 pp -78.84 -24.73 44.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.35 -31.04 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.574 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 10.3 mtmp? -75.68 -41.8 52.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.461 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 m -152.56 -75.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.316 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 66.45 -65.18 0.2 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.42 0.688 . . . . 0.0 111.914 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.6 mt -53.15 147.4 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.762 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.26 145.93 30.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 111.134 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -111.4 126.94 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-O 121.346 0.593 . . . . 0.0 111.472 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 53' ' ' HIS . 9.9 m -102.66 106.61 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 t -101.08 134.62 43.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.665 0.745 . . . . 0.0 111.577 -173.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.11 132.07 55.58 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.071 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.56 -38.44 77.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.079 0.466 . . . . 0.0 109.799 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.71 -50.66 56.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.821 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.59 -103.99 0.79 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.33 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.18 -171.84 31.9 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.583 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -91.1 118.0 30.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.54 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 83.6 m-70 -103.2 124.83 49.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.38 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -126.24 138.3 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.521 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.2 t -91.81 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -10.79 59.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.455 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.584 HD21 ' HD2' ' A' ' 79' ' ' PRO . 10.3 tp -95.02 -26.94 15.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.026 -171.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.14 -19.28 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.516 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.59 11.22 64.34 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.922 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.96 132.9 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.886 0.343 . . . . 0.0 110.634 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.3 m -112.73 124.89 53.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.057 0.456 . . . . 0.0 111.405 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.56 136.91 19.88 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.54 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 1.5 Cg_endo -44.83 -59.35 1.17 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.565 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 3.9 t-105 -179.76 -78.65 0.01 OUTLIER 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.777 0.673 . . . . 0.0 109.895 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.496 ' HG ' ' CD1' ' A' ' 65' ' ' TRP . 68.6 mt -109.66 95.43 5.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.387 0.613 . . . . 0.0 111.574 -177.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -132.51 -94.57 0.34 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 172.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 1' ' ' MET . 3.4 m -151.92 96.79 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.16 -26.59 63.86 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.617 -169.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.56 0.68 . . . . 0.0 112.0 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -96.78 4.46 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.903 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.5 tt -87.97 155.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.36 130.17 44.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.314 0.578 . . . . 0.0 110.952 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -99.32 178.89 4.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.354 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . -96.09 143.11 27.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -72.47 -16.91 61.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.051 0.453 . . . . 0.0 111.156 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -108.33 4.11 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.869 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 19.6 p -82.42 134.95 47.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.816 -177.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.69 ' HA ' HG21 ' B' ' 33' ' ' ILE . 91.1 Cg_exo -47.4 -30.58 11.69 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.091 3.194 . . . . 0.0 113.903 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 46.9 t -54.73 -39.47 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 111.338 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.414 HG22 ' SG ' ' A' ' 78' ' ' CYS . 59.2 t -71.75 -44.64 68.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.051 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.84 -41.44 82.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.97 75.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.0 mttt -62.64 -43.56 98.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 177.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.43 -38.06 85.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.752 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.9 mt -72.5 -42.42 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 84' ' ' LYS . 4.5 pp -74.04 -15.96 61.06 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.462 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.7 m -77.6 83.75 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.921 0.391 . . . . 0.0 110.332 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.436 ' HA ' ' OH ' ' B' ' 18' ' ' TYR . 32.6 t -73.62 87.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.47 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -171.5 147.1 2.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.732 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.441 ' HB3' ' HB3' ' B' ' 16' ' ' ASN . 27.7 Cg_exo -62.3 115.23 2.73 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.522 2.148 . . . . 0.0 111.893 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -118.11 124.58 48.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.902 0.382 . . . . 0.0 111.162 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 94' ' ' HIS . 10.3 tp -84.77 -172.35 4.13 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.414 ' H ' ' HG ' ' A' ' 93' ' ' LEU . 44.9 p-80 -68.17 92.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.431 0.634 . . . . 0.0 110.16 175.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -120.88 80.11 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.414 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.25 1.101 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.335 178.068 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.513 0.197 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.14 79.19 0.82 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.613 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 44.9 m -106.38 96.38 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.975 0.417 . . . . 0.0 110.047 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m -132.1 102.61 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' B' ' 7' ' ' HIS . 37.2 t-80 67.86 105.59 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 173.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -97.96 90.67 4.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' B' ' 8' ' ' HIS . 11.1 t-80 -89.07 80.88 6.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.911 0.386 . . . . 0.0 110.815 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' B' ' 7' ' ' HIS . 9.5 t-160 179.46 100.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.771 171.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -149.57 112.26 4.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.453 0.644 . . . . 0.0 109.52 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -119.85 108.22 14.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.223 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.7 p -87.92 175.55 7.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.197 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -149.87 174.52 12.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.85 -7.83 86.4 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.646 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 68.58 108.98 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.235 0.54 . . . . 0.0 109.939 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -79.08 154.95 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.499 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 91' ' ' PRO . 34.5 m-80 -86.5 -39.93 15.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -175.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.18 105.0 13.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 89' ' ' SER . 10.9 p90 -95.89 160.87 14.26 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.086 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.614 ' HA ' ' HB2' ' B' ' 22' ' ' MET . 47.5 m-85 68.65 170.45 0.29 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.766 0.666 . . . . 0.0 111.209 -171.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 73.46 -48.03 0.67 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.558 0.743 . . . . 0.0 110.542 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.09 33.16 3.95 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.614 ' HB2' ' HA ' ' B' ' 19' ' ' PHE . 9.8 ttt -83.5 132.87 34.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.7 p -103.7 -175.6 2.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.37 -39.73 67.46 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.788 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -57.79 -20.79 37.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.472 ' HB1' ' HE2' ' B' ' 22' ' ' MET . . . -69.23 -28.99 66.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.378 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.16 73.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.723 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.62 -47.56 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.84 -27.05 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.641 0.258 . . . . 0.0 111.32 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.59 -38.07 75.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 172.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.691 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 89.3 mtt180 -65.21 -38.16 89.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.206 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.02 -55.25 35.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.363 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.69 HG21 ' HA ' ' A' ' 79' ' ' PRO . 31.5 pt -66.01 -38.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.397 -177.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -75.17 -39.49 60.28 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.0 m -62.06 -35.28 78.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.249 -0.282 . . . . 0.0 111.475 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.437 ' HB3' ' HG2' ' A' ' 79' ' ' PRO . . . -68.25 -44.33 75.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.985 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.875 ' HA ' ' HB3' ' B' ' 41' ' ' ALA . 4.5 pp -73.82 -29.08 61.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' B' ' 84' ' ' LYS . 9.1 tt -72.31 -37.75 68.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.073 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.998 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.4 OUTLIER -69.38 -57.81 4.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.733 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t -172.72 82.02 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.972 0.891 . . . . 0.0 111.933 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.875 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -97.21 -11.76 23.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.049 170.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.777 HD11 ' HG2' ' B' ' 57' ' ' LYS . 8.5 mm -98.08 -125.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.252 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -168.73 147.05 4.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.428 . . . . 0.0 110.44 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.631 ' HA ' ' HA ' ' B' ' 54' ' ' ASN . 8.1 tt -79.56 127.43 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.438 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.19 116.72 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.412 0.625 . . . . 0.0 110.078 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.7 m -91.8 145.82 24.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.863 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.94 151.58 27.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.879 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.32 -33.29 74.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.23 114.92 8.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.789 174.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.38 -92.49 0.17 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.145 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.62 -139.37 2.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.62 ' HB2' HD13 ' B' ' 44' ' ' ILE . . . -146.78 135.42 22.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -126.56 121.83 33.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.747 -174.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.631 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 59.0 t30 -82.45 112.63 19.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -99.12 149.76 22.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.593 -169.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.576 ' HA ' HG13 ' B' ' 42' ' ' ILE . 61.7 m -109.82 117.09 32.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.777 ' HG2' HD11 ' B' ' 42' ' ' ILE . 18.6 ptpt -75.19 7.16 3.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 36' ' ' ALA . 7.6 mp -109.85 -47.5 3.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 111.697 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 64.2 m -89.74 -9.15 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.98 44.28 97.63 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.78 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.15 163.55 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m -137.68 142.96 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.989 0.423 . . . . 0.0 111.184 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.403 HG11 ' HA2' ' B' ' 69' ' ' GLY . 7.6 p -108.32 130.42 22.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.535 ' HB2' ' CG ' ' B' ' 67' ' ' GLN . 45.4 Cg_exo -56.42 146.36 74.2 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.637 2.225 . . . . 0.0 112.604 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.45 138.07 57.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.288 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt 67.29 22.41 9.6 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.368 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.535 ' CG ' ' HB2' ' B' ' 64' ' ' PRO . 15.1 mm100 -83.95 -71.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 171.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.9 t -175.25 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.962 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.403 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . 69.42 80.32 0.26 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.297 -178.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -165.33 -51.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.78 0.324 . . . . 0.0 110.211 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.94 89.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.673 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.548 ' HB ' ' HZ1' ' B' ' 84' ' ' LYS . 38.2 mm -132.79 92.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -130.09 85.65 2.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.599 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -123.65 -14.55 7.25 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.257 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.35 116.21 0.6 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.56 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -82.09 -10.72 59.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.33 0.586 . . . . 0.0 110.28 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.851 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 84.1 m -78.31 133.83 63.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.621 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.3 Cg_exo -56.62 -30.99 85.55 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.237 2.625 . . . . 0.0 112.981 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 24.7 m -69.68 -30.93 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.79 0.329 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -75.5 -47.2 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.481 ' O ' HG12 ' B' ' 86' ' ' ILE . 10.7 tp -61.16 -35.76 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.65 -43.45 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.071 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.548 ' HZ1' ' HB ' ' B' ' 72' ' ' ILE . 92.6 mttt -61.5 -42.15 98.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.617 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.13 -27.28 65.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.35 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.481 HG12 ' O ' ' B' ' 82' ' ' ILE . 48.3 mm -74.3 -39.25 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.098 0.475 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.691 ' HB2' ' HG2' ' B' ' 31' ' ' ARG . 4.6 pp -89.03 -0.45 57.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.843 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.8 p -53.13 -55.24 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.741 -174.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 18' ' ' TYR . 9.2 t 73.09 152.77 0.13 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.981 0.801 . . . . 0.0 110.31 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 58.63 63.34 4.05 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.84 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -87.1 143.65 6.82 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.217 1.945 . . . . 0.0 112.113 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 65.51 22.75 11.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.645 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tt -97.0 -69.61 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -94.79 145.44 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.472 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.39 131.68 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.112 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.601 179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.15 96.98 2.22 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.8 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -139.95 84.79 1.99 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.212 0.529 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.1 p -74.85 112.15 10.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.36 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -88.1 111.88 22.06 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -59.93 107.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.752 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.45 112.11 19.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.317 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -126.03 97.69 5.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.069 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -149.25 152.13 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.064 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -113.41 114.72 26.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.15 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 m -85.95 99.73 11.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.079 0.466 . . . . 0.0 110.285 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 p -113.71 -60.77 1.84 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.43 148.41 18.99 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.648 ' HD3' ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -106.06 97.83 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.635 0.731 . . . . 0.0 109.563 177.61 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB2' HG22 ' A' ' 25' ' ' THR . 4.6 mm-40 -88.87 86.02 6.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.581 -174.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -96.66 111.99 23.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.163 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.16 -172.91 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.979 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -117.28 159.89 21.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -62.62 -11.22 15.54 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.746 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -73.77 -34.71 64.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.864 0.364 . . . . 0.0 110.425 177.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.68 104.81 0.9 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.929 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.533 ' HE2' ' HG3' ' B' ' 22' ' ' MET . 23.8 mmt -91.02 109.25 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 0.0 111.348 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 p -91.94 -70.56 0.68 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.609 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.86 -36.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.839 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 15' ' ' GLU . 20.1 p -74.95 9.08 2.08 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.88 67.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.602 . . . . 0.0 109.952 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.686 ' HA ' ' CE1' ' B' ' 19' ' ' PHE . . . -68.56 -28.63 67.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.171 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.78 -55.17 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 10.9 t70 -69.99 -38.36 75.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -173.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.61 -40.33 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.017 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 31' ' ' ARG . 24.4 ttt85 -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 37.0 ttmt -53.92 -42.54 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.087 174.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.943 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 42.3 mt -70.04 -46.99 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.731 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -59.98 -32.48 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.012 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.453 ' HA ' HD22 ' A' ' 38' ' ' LEU . 67.4 m -55.03 -29.3 57.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.892 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.89 71.52 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.726 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 3.9 pp -74.19 -23.85 59.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.941 0.4 . . . . 0.0 110.958 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 35' ' ' THR . 3.2 mm? -73.63 -25.86 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.108 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.56 -58.15 3.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 -177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.6 p -137.79 -69.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.726 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . 68.87 -60.93 0.43 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.009 0.818 . . . . 0.0 112.028 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.4 mt -73.22 142.35 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.203 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -110.73 151.32 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.728 177.022 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.3 pt -102.09 118.79 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 53' ' ' HIS . 21.4 t -97.07 141.39 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 t -126.46 136.82 53.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.322 0.582 . . . . 0.0 110.848 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -138.24 155.52 48.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.146 176.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.46 -25.81 23.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -82.44 -52.13 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.366 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -90.56 -41.55 5.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.238 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -156.05 15.9 Favored Glycine 0 N--CA 1.438 -1.172 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.19 34.63 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 120.852 0.358 . . . . 0.0 110.294 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 93.9 m-70 -121.24 127.48 51.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.256 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -91.23 105.47 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -117.91 143.79 46.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.654 -170.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.546 ' CB ' ' HB2' ' A' ' 59' ' ' CYS . 62.3 m -91.92 111.82 23.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.939 172.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.65 ' HZ1' ' HB2' ' A' ' 57' ' ' LYS . 4.7 ttmp? -40.29 -50.75 2.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -171.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -129.83 7.53 5.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 112.166 -173.099 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.546 ' HB2' ' CB ' ' A' ' 56' ' ' CYS . 74.1 m -85.57 -5.55 59.27 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.33 44.8 84.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.914 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.76 138.13 19.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.973 0.416 . . . . 0.0 111.443 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -140.96 130.63 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.35 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.11 143.28 48.73 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 67' ' ' GLN . 84.1 Cg_exo -46.84 136.86 16.72 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.858 2.372 . . . . 0.0 112.351 173.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -58.37 127.81 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.623 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt 71.96 8.51 6.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.398 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.32 -42.2 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 71' ' ' GLU . 2.0 p -144.21 -76.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 111.277 178.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 121.18 -97.24 0.62 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.955 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.19 -25.23 58.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.746 0.307 . . . . 0.0 110.947 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' HB3' ' HB ' ' A' ' 68' ' ' THR . 11.7 tp10 -75.66 93.32 3.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.312 0.577 . . . . 0.0 109.611 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -165.0 172.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -68.65 148.7 50.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.248 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -129.99 157.29 42.75 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . . . -99.41 143.06 30.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -103.81 -22.25 13.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.066 0.46 . . . . 0.0 110.909 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.56 -0.65 51.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.637 0.732 . . . . 0.0 110.414 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 21.5 p -74.51 150.12 86.73 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.196 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.569 ' HB3' ' HG2' ' B' ' 32' ' ' LYS . 47.9 Cg_endo -69.26 -9.79 27.23 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.743 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG21 HD22 ' A' ' 58' ' ' LEU . 60.4 t -62.1 -38.6 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.283 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 48.4 t -62.93 -46.28 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.024 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.4 mm -58.08 -46.64 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.735 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -43.38 80.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -61.43 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.806 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 47.0 mt-30 -62.74 -38.78 91.87 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 82' ' ' ILE . 69.4 mt -61.82 -55.2 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.566 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.8 -18.56 63.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.326 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.7 m -81.36 -40.51 23.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.623 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m 62.37 16.47 8.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.624 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 31.1 ptt180 -127.83 119.29 21.24 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.874 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 2.2 Cg_endo -81.93 117.33 2.91 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.927 2.418 . . . . 0.0 112.481 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -103.68 107.22 17.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.875 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -111.5 -81.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 54.94 -91.29 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.688 0.618 . . . . 0.0 111.819 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' O ' ' HB ' ' A' ' 96' ' ' VAL . . . -152.98 53.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 95' ' ' ALA . 59.0 t . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.119 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.75 143.71 3.74 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.645 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -84.41 151.91 24.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.3 t -72.54 105.46 4.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -123.84 -179.56 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.857 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -111.07 122.39 47.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.884 0.373 . . . . 0.0 111.227 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -89.53 133.86 34.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -121.52 98.07 5.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.962 0.411 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -114.63 113.73 24.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.698 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -91.24 154.81 19.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.3 m -56.03 114.09 1.79 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.416 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.56 132.7 54.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.782 -178.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.22 -166.03 34.52 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.656 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -143.74 135.69 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' B' ' 15' ' ' GLU . 0.1 OUTLIER -84.33 -28.8 26.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.943 -176.304 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 93.6 m-20 -79.46 -11.0 59.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.266 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' B' ' 16' ' ' ASN . 47.4 tp 71.99 158.21 0.19 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.799 0.687 . . . . 0.0 110.454 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.45 ' O ' ' HB2' ' B' ' 19' ' ' PHE . 17.7 t80 -112.25 149.13 32.76 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.686 ' CE1' ' HA ' ' A' ' 27' ' ' ALA . 19.8 m-85 74.7 130.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.973 0.796 . . . . 0.0 111.206 -175.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 70.28 -67.4 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.183 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 41.88 3.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.707 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.599 ' SD ' ' HA ' ' B' ' 19' ' ' PHE . 14.5 ptm -111.87 123.64 50.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.687 0.756 . . . . 0.0 110.382 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 60.8 m -138.47 136.14 35.89 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.389 -171.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 66.49 -75.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.971 0.795 . . . . 0.0 112.764 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -73.55 -4.48 34.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.703 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' HE3' ' B' ' 22' ' ' MET . . . -53.73 -37.79 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.681 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.96 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.81 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.87 -43.16 25.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -64.41 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.29 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.89 -32.37 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.297 0.57 . . . . 0.0 110.031 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.13 -31.32 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.019 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 79' ' ' PRO . 50.1 tttp -56.94 -54.37 47.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.526 HG22 ' HB2' ' A' ' 79' ' ' PRO . 34.6 pt -72.82 -31.8 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.685 ' HB3' HD23 ' B' ' 87' ' ' LEU . . . -63.65 -30.16 71.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.643 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -54.58 -35.45 63.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.55 97.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.36 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.569 ' HB2' HG13 ' B' ' 80' ' ' VAL . 3.9 pp -81.39 -23.26 37.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.973 0.416 . . . . 0.0 110.946 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.47 -38.04 68.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.77 -51.16 70.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.262 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -160.98 -37.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.747 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 37' ' ' LEU . . . 68.73 -64.37 0.32 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.76 HG13 ' HA ' ' B' ' 56' ' ' CYS . 12.5 mm -107.52 174.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.448 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.412 ' H ' HG22 ' B' ' 42' ' ' ILE . 2.7 pm0 -103.51 158.61 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 0.0 110.792 -176.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.439 HD11 ' O ' ' B' ' 44' ' ' ILE . 2.2 pp -117.42 143.34 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.248 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 m -112.92 128.0 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.914 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -89.65 138.31 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.762 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.94 102.18 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 54.33 -85.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.82 0.7 . . . . 0.0 111.664 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.17 9.49 0.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.7 . . . . 0.0 109.985 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.13 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.268 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.75 -155.55 8.92 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.957 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.476 ' HB1' ' HB2' ' B' ' 65' ' ' TRP . . . -145.85 155.15 42.71 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.796 0.331 . . . . 0.0 110.372 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -112.93 123.24 49.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.387 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.42 ' OD1' ' HB ' ' B' ' 42' ' ' ILE . 48.6 t-20 -91.58 113.82 26.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.16 100.76 8.84 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.76 ' HA ' HG13 ' B' ' 42' ' ' ILE . 22.0 p -51.66 123.67 10.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.673 0.749 . . . . 0.0 111.654 -171.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.402 ' HZ3' ' CD ' ' B' ' 43' ' ' GLU . 22.1 ttpt -78.69 44.95 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.61 -174.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.48 HD21 HG23 ' B' ' 80' ' ' VAL . 11.4 tp -158.08 -63.18 0.09 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.754 -172.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.531 ' HB3' ' SG ' ' B' ' 56' ' ' CYS . 53.0 t -89.89 -37.98 14.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.568 -174.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.82 -1.03 45.06 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.579 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.09 148.46 26.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.723 -0.281 . . . . 0.0 110.308 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -116.27 146.08 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.606 ' HB ' HD13 ' B' ' 72' ' ' ILE . 8.0 p -130.78 136.21 28.56 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 177.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.402 ' HG2' HE21 ' B' ' 67' ' ' GLN . 25.1 Cg_endo -62.62 140.24 80.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.918 2.412 . . . . 0.0 113.018 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.478 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 22.5 t90 -57.91 146.2 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.591 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 88.6 mt 81.73 -20.81 0.34 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.999 0.919 . . . . 0.0 112.693 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.402 HE21 ' HG2' ' B' ' 64' ' ' PRO . 10.0 tt0 -103.01 91.95 4.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.622 -176.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.704 HG23 ' H ' ' B' ' 70' ' ' ASP . 21.1 m 63.6 -77.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.461 174.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.57 -9.12 78.25 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.441 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.704 ' H ' HG23 ' B' ' 68' ' ' THR . 13.4 t70 -102.65 -7.4 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.021 0.438 . . . . 0.0 110.795 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 3.12 5.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' B' ' 63' ' ' VAL . 49.9 mm -81.23 95.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.142 0.496 . . . . 0.0 110.792 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -121.76 32.84 5.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.715 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.55 -13.46 59.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.967 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.08 96.73 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.59 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.76 -23.13 65.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.85 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -77.2 -23.79 51.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.436 ' HB3' HD23 ' B' ' 58' ' ' LEU . 95.6 m -63.78 135.7 96.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.943 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 15.3 Cg_exo -33.49 -60.4 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.822 1 C-N-CA 125.44 4.094 . . . . 0.0 115.18 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' B' ' 37' ' ' LEU . 89.8 t -63.4 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 111.406 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.0 -41.69 59.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.483 ' O ' HG13 ' B' ' 86' ' ' ILE . 10.5 tp -66.62 -40.94 87.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.766 0.317 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.476 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -60.42 -38.73 85.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.15 -33.74 72.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' B' ' 82' ' ' ILE . 44.7 mt-30 -79.12 -33.51 44.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 82' ' ' ILE . 69.0 mt -62.38 -47.04 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.517 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.685 HD23 ' HB3' ' B' ' 34' ' ' ALA . 4.2 pp -72.11 -6.04 39.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.118 0.485 . . . . 0.0 111.148 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -103.42 -66.59 0.93 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.238 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.5 t 64.01 -70.84 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.765 0.826 . . . . 0.0 111.104 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -167.27 83.97 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.06 -161.87 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.106 2.537 . . . . 0.0 111.865 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -101.54 89.77 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.79 -75.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -135.88 108.35 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.558 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.34 165.53 11.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.966 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.166 177.707 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' H3 ' ' CG ' ' A' ' 76' ' ' ASP . 66.5 mtt . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.8 160.54 20.89 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.659 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -155.76 28.32 0.38 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.853 0.359 . . . . 0.0 111.056 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.4 p -76.55 98.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.779 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -154.4 75.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.149 0.499 . . . . 0.0 109.689 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.73 138.3 31.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.3 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 174.76 -66.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.581 0.55 . . . . 0.0 110.47 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 67.17 157.32 0.12 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.536 0.522 . . . . 0.0 111.527 -175.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -166.9 148.7 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.719 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -158.14 179.61 9.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -91.26 -20.53 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.995 0.426 . . . . 0.0 110.551 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.2 156.32 21.36 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.511 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.7 mmm180 -135.47 -89.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 178.44 168.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.098 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -131.02 145.05 51.9 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 170.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.8 tp -99.0 38.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 110.011 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.0 t80 60.82 -167.64 0.18 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.05 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' HZ ' ' HB ' ' B' ' 30' ' ' VAL . 96.5 m-85 -78.6 0.47 26.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -78.49 -48.69 14.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.27 68.61 0.53 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.001 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 mmt -64.73 136.06 56.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.113 0.482 . . . . 0.0 110.882 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -114.79 -171.3 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.474 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.94 -52.72 54.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.801 0.44 . . . . 0.0 112.143 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 14' ' ' ARG . 1.4 m -79.17 10.34 3.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.069 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.25 -11.65 61.05 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.823 0.821 . . . . 0.0 109.737 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.53 57.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.54 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.411 ' CD ' ' HZ1' ' A' ' 32' ' ' LYS . 9.1 tm-20 -77.42 -48.37 17.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.565 -173.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.564 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 26.4 p-10 -81.69 -46.36 14.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 33' ' ' ILE . 84.4 t -63.3 -35.94 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -73.79 -28.88 61.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.806 -0.559 . . . . 0.0 111.352 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 40.6 mtmt -65.18 -39.81 93.4 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 30' ' ' VAL . 35.1 pt -64.13 -34.09 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . . . -75.08 -32.54 61.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.3 m -72.46 -30.1 64.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.857 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.66 -27.28 49.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.382 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.785 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 63.2 mt -60.45 -42.86 97.03 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.609 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.3 mp -77.27 -28.39 53.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.181 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.22 -52.64 38.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.439 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 7.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . -73.39 -22.57 60.22 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.345 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.3 mt -77.89 145.48 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.792 ' HG2' ' HB3' ' B' ' 43' ' ' GLU . 3.8 tp10 -105.82 157.91 17.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 112.323 -168.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG22 ' HB3' ' A' ' 52' ' ' ALA . 23.4 mm -117.42 114.59 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.167 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 53' ' ' HIS . 5.5 m -117.88 116.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 172.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 33.2 t -100.0 160.81 14.03 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.204 -173.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.88 161.58 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.83 175.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -51.79 -44.72 63.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -153.81 112.83 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.669 171.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.76 -86.97 0.1 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.039 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.1 149.62 21.23 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.792 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -72.01 154.54 41.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.071 -0.565 . . . . 0.0 111.308 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 95.5 m-70 -122.46 126.16 47.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -82.26 105.55 13.43 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 172.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 0.1 OUTLIER -106.86 116.44 31.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.1 0.476 . . . . 0.0 110.991 -168.296 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.72 90.38 8.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.876 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.741 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -73.92 9.46 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.395 -175.231 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' HB1' ' B' ' 36' ' ' ALA . 7.0 mp -106.57 15.11 26.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.417 ' HB2' ' HD2' ' A' ' 74' ' ' HIS . 30.6 t -155.77 -27.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.463 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.56 56.12 2.31 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.526 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.55 ' HB1' HD13 ' A' ' 72' ' ' ILE . . . -152.72 133.85 14.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.623 0.249 . . . . 0.0 110.444 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.52 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 65.2 p -120.31 152.53 37.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.553 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.6 p -141.46 137.96 17.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.661 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.75 141.07 11.94 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.803 2.335 . . . . 0.0 112.868 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.491 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 3.1 t-105 -69.03 160.8 30.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.187 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 3.3 mm? 74.17 -17.84 0.44 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.35 0.66 . . . . 0.0 111.471 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 70' ' ' ASP . 49.2 tt0 -82.15 2.67 30.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.162 0.506 . . . . 0.0 110.295 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.1 m 73.73 -53.43 0.69 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.553 ' HA2' HG11 ' A' ' 63' ' ' VAL . . . 166.04 -26.63 0.17 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.671 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' HB2' HE21 ' A' ' 67' ' ' GLN . 34.8 t70 69.65 -1.4 2.29 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.908 0.483 . . . . 0.0 111.583 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 52.33 48.36 22.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.55 HD13 ' HB1' ' A' ' 61' ' ' ALA . 16.6 tt -57.45 145.28 8.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.218 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 31.0 mmtp -60.54 146.56 44.62 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 111.592 -174.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.417 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 13.4 t-80 -144.15 146.45 32.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.571 -163.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 99.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 6.4 t70 -74.25 -14.04 60.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -160.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -89.48 -3.14 58.5 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.88 153.84 30.84 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.879 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.487 ' HA ' HG23 ' A' ' 82' ' ' ILE . 11.5 Cg_endo -54.52 -19.01 16.53 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.567 2.845 . . . . 0.0 113.775 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.76 -47.04 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.37 -39.56 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.769 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.487 HG23 ' HA ' ' A' ' 79' ' ' PRO . 11.1 tp -65.87 -35.87 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.095 0.474 . . . . 0.0 109.898 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . . . -65.57 -39.78 92.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.24 173.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.43 -42.0 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.625 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.09 -43.23 99.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.592 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 82' ' ' ILE . 72.0 mt -62.3 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.32 -5.95 57.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.9 t -93.77 14.31 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -53.07 136.05 36.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 61.56 76.36 0.4 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.272 -167.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -94.99 97.68 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 123.471 2.78 . . . . 0.0 111.65 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -83.58 67.12 9.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.842 0.83 . . . . 0.0 110.107 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.23 0.48 11.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.058 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 57.65 76.79 0.31 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 72.57 137.17 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.702 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.721 179.407 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.77 30.34 0.92 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.464 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -103.54 109.48 21.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.407 . . . . 0.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 26.3 p -150.51 -79.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -135.19 14.84 3.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 173.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -87.43 95.48 10.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.313 -1.767 . . . . 0.0 111.223 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -175.22 102.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.477 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -175.32 162.05 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 42.2 m80 62.38 -160.25 0.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.353 0.408 . . . . 0.0 110.164 -176.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m80 67.18 37.98 3.52 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.988 0.423 . . . . 0.0 111.014 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -77.72 -20.12 54.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m 67.99 153.08 0.09 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.896 0.747 . . . . 0.0 111.928 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -7.67 78.58 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.614 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 69.83 -74.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.491 0.716 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.685 ' HG3' ' H ' ' B' ' 16' ' ' ASN . 5.0 pt-20 -148.39 -93.66 0.08 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.036 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.685 ' H ' ' HG3' ' B' ' 15' ' ' GLU . 66.8 t30 58.76 -163.44 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.492 ' H ' ' CG ' ' B' ' 16' ' ' ASN . 7.5 mp -77.1 86.42 3.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.09 123.98 30.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 70.87 163.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.65 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 61.93 16.92 8.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.542 0.687 . . . . 0.0 110.086 -166.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.67 149.45 5.81 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 7.1 mmt -150.38 157.7 43.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.931 0.365 . . . . 0.0 110.589 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -99.16 171.03 8.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.621 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.91 -41.0 99.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.977 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.614 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.22 67.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.566 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.53 -37.01 82.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 31' ' ' ARG . 8.8 tp10 -68.29 -44.67 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.87 -41.88 86.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.55 ' HB ' ' HZ ' ' A' ' 19' ' ' PHE . 92.5 t -72.41 -38.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.423 ' HD2' ' CD ' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -66.45 -29.86 70.08 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.786 176.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.423 ' CD ' ' HD2' ' B' ' 31' ' ' ARG . 12.5 mptt -64.86 -50.48 66.46 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -67.29 -32.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.753 0.311 . . . . 0.0 110.984 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.65 74.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -70.3 -30.63 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.485 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -55.12 -48.33 73.78 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -175.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.655 ' HA ' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.647 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.539 HD23 HD22 ' B' ' 87' ' ' LEU . 10.1 mp -80.07 -26.67 39.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 111.539 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -84.3 -58.2 2.85 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 11.6 t -136.04 -1.63 2.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.156 -0.617 . . . . 0.0 112.523 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.655 ' HB1' ' HA ' ' B' ' 37' ' ' LEU . . . -62.72 -31.23 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.395 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.423 HG22 ' O ' ' B' ' 55' ' ' GLN . 75.5 mt -93.41 115.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.225 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.792 ' HB3' ' HG2' ' A' ' 43' ' ' GLU . 4.2 tp10 -119.22 155.99 30.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 tt -103.67 129.12 56.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.54 127.82 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.02 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 37.2 m -89.63 161.27 16.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.104 0.478 . . . . 0.0 111.66 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -90.81 -157.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.91 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.98 -50.27 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.081 0.467 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -154.79 -26.44 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.133 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.51 -35.34 91.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.446 -0.407 . . . . 0.0 114.073 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.76 -149.51 13.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.897 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -144.85 168.33 20.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.65 0.262 . . . . 0.0 110.499 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -130.12 113.98 15.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 110.368 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.63 116.76 24.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 42' ' ' ILE . 10.6 pt20 -111.36 115.87 30.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.339 0.59 . . . . 0.0 111.92 -171.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 80.5 m -80.85 91.2 5.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.473 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -54.9 -46.3 74.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.795 -171.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.41 -13.91 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 26.3 m -102.58 -27.59 12.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.783 0.325 . . . . 0.0 110.501 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.17 34.73 22.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.044 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.481 ' HB1' HG21 ' B' ' 72' ' ' ILE . . . -136.54 135.82 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.753 0.311 . . . . 0.0 110.59 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -117.25 145.74 43.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.946 0.403 . . . . 0.0 110.597 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.659 ' HB ' HD12 ' B' ' 72' ' ' ILE . 12.7 p -135.5 137.11 25.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.502 ' HG2' ' HB2' ' B' ' 67' ' ' GLN . 6.4 Cg_endo -50.88 158.03 3.36 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.633 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -41.38 -64.64 0.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.939 0.896 . . . . 0.0 111.881 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mp -123.63 92.12 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.352 0.596 . . . . 0.0 111.307 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.502 ' HB2' ' HG2' ' B' ' 64' ' ' PRO . 22.1 tt0 -127.06 -54.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.796 172.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.435 HG23 HE21 ' B' ' 67' ' ' GLN . 14.5 t 174.11 152.66 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.871 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.2 14.75 64.67 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.365 -0.921 . . . . 0.0 111.543 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' B' ' 71' ' ' GLU . 27.4 t70 -113.16 -173.36 2.24 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.488 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 26.4 mt-10 62.4 10.73 4.12 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.813 0.845 . . . . 0.0 112.132 -176.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.659 HD12 ' HB ' ' B' ' 63' ' ' VAL . 47.0 mm -83.16 95.57 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 171.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.55 100.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -72.63 138.26 46.63 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.511 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' B' ' 78' ' ' CYS . . . -78.68 134.44 37.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.3 174.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.86 -23.16 58.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.12 0.486 . . . . 0.0 110.732 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.14 -0.53 41.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.573 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' B' ' 75' ' ' ALA . 17.8 p -74.97 154.59 86.77 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.439 ' HB3' HG21 ' A' ' 33' ' ' ILE . 15.5 Cg_exo -70.05 -10.81 29.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.0 2.467 . . . . 0.0 113.084 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.8 -45.58 91.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.562 0.22 . . . . 0.0 111.239 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 48.4 t -58.82 -49.86 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.452 ' O ' HG13 ' B' ' 86' ' ' ILE . 7.3 tp -67.7 -45.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -177.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.32 93.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.871 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' B' ' 38' ' ' LEU . 12.0 ptmm? -64.85 -27.59 68.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.993 0.425 . . . . 0.0 110.965 -177.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.23 -41.39 49.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.485 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.3 mt -62.16 -45.01 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 0.0 111.54 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.539 HD22 HD23 ' B' ' 38' ' ' LEU . 4.6 pp -75.46 -5.78 46.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.018 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -92.22 13.15 19.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.9 t -82.25 67.58 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.393 -178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -141.18 140.83 21.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.27 141.55 96.84 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.077 2.518 . . . . 0.0 112.401 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -95.3 144.75 25.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.31 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.408 HD13 ' N ' ' B' ' 93' ' ' LEU . 7.1 mp -104.42 -40.65 6.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 172.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 67.84 15.22 9.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.282 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 60.06 -169.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.612 178.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.599 0.238 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.65 157.39 32.47 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.661 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -83.18 -66.47 0.89 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.764 0.282 . . . . 0.0 110.587 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.8 m 57.23 24.52 9.96 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.36 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -99.45 88.36 3.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -177.29 154.89 1.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.509 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.448 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 33.7 p-80 -140.35 -79.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.265 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 33.5 m80 -160.99 175.16 12.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.748 -175.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.9 128.37 14.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 169.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -147.73 129.27 14.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.448 . . . . 0.0 110.891 -170.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -100.47 128.72 46.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.395 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -153.08 22.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 110.822 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.51 145.3 23.89 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.868 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -142.9 122.59 13.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.878 0.339 . . . . 0.0 110.294 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -166.2 -62.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.612 0.57 . . . . 0.0 110.106 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -143.82 156.96 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.572 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.713 ' HG ' ' H ' ' A' ' 22' ' ' MET . 5.0 tt -166.83 114.33 0.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -132.04 -45.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -73.29 -105.78 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.925 0.393 . . . . 0.0 111.108 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -106.53 -32.29 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.78 115.68 0.51 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.841 174.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.713 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 1.3 mpt? -88.93 -173.45 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 172.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.7 p 52.49 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.025 0.828 . . . . 0.0 112.161 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 70.8 -63.61 0.41 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.11 -173.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.5 m -64.64 -26.28 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.357 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.692 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -53.77 -40.27 66.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -68.96 -38.77 79.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.739 0.304 . . . . 0.0 111.065 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.9 tp10 -85.3 -32.69 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -173.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.08 -41.38 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.657 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.07 -34.03 49.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.692 ' HG2' ' HA ' ' A' ' 87' ' ' LEU . 89.1 mtt180 -61.15 -42.66 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 12.3 mptt -57.85 -32.32 67.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.059 -177.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.619 ' HA ' ' HB2' ' B' ' 79' ' ' PRO . 53.4 mt -64.48 -47.46 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.194 0.521 . . . . 0.0 110.405 177.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.84 -32.66 59.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.12 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 32' ' ' LYS . 2.6 p -62.01 -30.42 70.94 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -173.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.65 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -72.98 -32.84 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.634 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.39 -27.32 41.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.55 -57.29 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.565 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' OG1' ' HD3' ' B' ' 57' ' ' LYS . 5.7 t -155.98 90.19 1.2 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.341 1.067 . . . . 0.0 110.823 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.537 ' O ' ' HE2' ' A' ' 57' ' ' LYS . . . -140.89 -36.01 0.47 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.029 -1.442 . . . . 0.0 109.207 172.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.5 mt -70.62 124.56 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -105.31 145.95 30.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 0.0 110.942 -173.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.925 HD12 ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -102.54 126.6 56.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.679 178.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.62 130.15 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.132 0.492 . . . . 0.0 110.352 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -99.4 138.7 36.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.785 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -97.8 168.62 10.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.834 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.62 -43.98 19.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -139.32 112.33 8.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.814 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.96 -29.84 1.0 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.221 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.8 163.13 18.38 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.499 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.925 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -73.87 142.05 46.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 122.66 0.384 . . . . 0.0 111.008 176.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -127.35 135.45 50.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.734 ' HB3' ' HB ' ' A' ' 63' ' ' VAL . 7.3 t30 -89.75 112.79 24.18 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -109.39 112.66 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.181 0.515 . . . . 0.0 111.696 -174.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -88.61 93.43 9.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.632 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -75.19 0.44 16.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.919 -174.4 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.555 ' HG ' HG22 ' B' ' 40' ' ' THR . 0.3 OUTLIER -86.59 -55.87 3.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.456 -177.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.7 p -93.96 -29.09 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.41 . . . . 0.0 110.989 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.77 45.52 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.44 134.55 54.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -101.59 134.71 44.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.182 0.515 . . . . 0.0 110.259 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.734 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 57.2 t -123.18 135.75 26.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.635 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 65' ' ' TRP . 29.5 Cg_exo -63.81 0.78 1.78 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.17 2.58 . . . . 0.0 113.396 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.494 ' H ' HG11 ' A' ' 63' ' ' VAL . 70.2 t-105 72.84 151.05 0.11 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.62 0.768 . . . . 0.0 111.149 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.61 -60.55 0.53 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.714 0.806 . . . . 0.0 109.882 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.96 123.2 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 70' ' ' ASP . 9.4 t -74.45 -24.14 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.785 0.326 . . . . 0.0 111.017 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.59 0.12 89.74 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.497 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.704 ' H ' HG23 ' A' ' 68' ' ' THR . 32.5 t70 56.72 76.95 0.28 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.58 0.705 . . . . 0.0 110.569 -175.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 39.86 78.06 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.844 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.4 tt -50.55 142.92 2.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.353 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -55.3 115.02 2.04 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.489 0.662 . . . . 0.0 110.926 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -76.98 160.32 29.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.082 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.1 125.08 29.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -13.85 59.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.718 0.295 . . . . 0.0 111.772 -170.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.35 -25.5 33.8 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.608 0.242 . . . . 0.0 111.498 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.456 ' O ' HG22 ' A' ' 81' ' ' VAL . 31.6 p -79.38 146.7 66.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.434 -175.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' B' ' 36' ' ' ALA . 33.1 Cg_exo -64.02 0.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.621 2.881 . . . . 0.0 113.845 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.0 -31.62 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.035 0.445 . . . . 0.0 110.355 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 78' ' ' CYS . 16.2 m -62.66 -38.62 82.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 110.856 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.496 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 32.2 mm -75.03 -39.2 44.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.956 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.8 -51.39 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.665 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.93 -51.55 68.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.593 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 82' ' ' ILE . 2.9 pt20 -61.86 -29.8 70.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.663 -172.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 82' ' ' ILE . 75.6 mt -75.77 -50.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.61 0.243 . . . . 0.0 111.48 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.692 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 4.3 pp -81.61 -10.98 59.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 t -112.23 19.69 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -82.66 88.76 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.194 0.521 . . . . 0.0 110.917 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -86.83 147.38 43.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.293 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.95 107.94 0.85 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.854 2.369 . . . . 0.0 112.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -166.37 -165.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.7 -66.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.342 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.427 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -162.93 151.4 14.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.416 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.26 45.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.099 0.476 . . . . 0.0 111.802 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 94' ' ' HIS . 3.8 m . . . . . 0 C--O 1.247 0.933 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.149 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.668 0.27 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.41 153.57 24.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.718 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -126.95 150.11 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.7 0.286 . . . . 0.0 110.55 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 66.6 m -145.59 112.73 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 0.0 110.566 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -129.88 17.18 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.97 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -86.16 128.32 34.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.523 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -85.42 150.94 24.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.583 174.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -164.32 117.07 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.28 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -133.33 137.55 45.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 170.33 137.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.416 1.073 . . . . 0.0 108.657 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.8 p -128.78 140.09 51.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.94 0.4 . . . . 0.0 111.573 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 8.7 m -116.96 104.32 11.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.67 83.9 1.13 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.206 -174.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.497 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 35.0 ttt180 -135.3 142.36 45.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' B' ' 14' ' ' ARG . 50.7 mm-40 60.36 95.58 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 O-C-N 124.066 0.854 . . . . 0.0 111.003 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -78.26 103.51 8.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.954 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 mp -85.59 -84.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.96 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -133.27 -70.53 0.53 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.032 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.42 ' HB2' ' HG2' ' B' ' 22' ' ' MET . 39.1 m-85 -86.13 70.72 10.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.181 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 45.87 73.78 0.16 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.845 0.716 . . . . 0.0 112.035 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' B' ' 15' ' ' GLU . . . 86.35 -47.83 3.81 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.526 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.743 ' HA ' ' HB1' ' B' ' 26' ' ' ALA . 80.8 mtp 68.25 9.21 7.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.375 0.67 . . . . 0.0 112.241 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -93.85 -58.59 2.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.329 0.585 . . . . 0.0 110.207 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.26 -55.13 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.312 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -60.57 -27.74 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.372 -174.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.743 ' HB1' ' HA ' ' B' ' 22' ' ' MET . . . -57.82 -46.34 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.98 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.52 -28.79 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.742 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.533 ' HG3' ' NH2' ' B' ' 31' ' ' ARG . 25.8 tt0 -78.85 -39.2 35.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.376 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.65 -27.19 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.589 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.85 -30.1 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.045 0.45 . . . . 0.0 109.853 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.533 ' NH2' ' HG3' ' B' ' 28' ' ' GLU . 45.6 ttp180 -55.69 -30.15 60.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 174.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -53.04 -55.37 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.895 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 29.2 pt -77.47 -28.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.108 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.561 ' HB3' HD21 ' B' ' 87' ' ' LEU . . . -63.37 -32.36 73.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -73.97 -34.79 64.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.381 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . . . -61.51 -52.63 63.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.2 pp -62.93 -23.5 67.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.652 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -78.52 -40.14 35.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.435 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -91.9 -38.92 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.773 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.555 HG22 ' HG ' ' A' ' 58' ' ' LEU . 3.0 t -148.06 87.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 111.511 -177.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -158.74 -60.92 0.07 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.91 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.53 HG22 HD22 ' B' ' 54' ' ' ASN . 49.3 mm -75.42 117.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.331 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.16 171.67 7.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 0.0 111.322 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.688 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -137.19 127.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.249 -176.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' B' ' 53' ' ' HIS . 9.9 m -101.05 111.1 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.963 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.1 p -98.66 123.92 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.501 0.667 . . . . 0.0 112.207 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 51' ' ' GLY . 15.0 mm-40 -88.17 116.92 26.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.427 171.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.28 -29.65 70.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.16 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.26 -55.4 8.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.767 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.92 89.26 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.703 -1.237 . . . . 0.0 114.13 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' B' ' 47' ' ' GLU . . . 136.55 123.18 2.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.702 166.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.688 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -106.93 126.28 52.11 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.405 ' HB2' HG23 ' B' ' 45' ' ' VAL . 91.5 m-70 -113.47 109.02 17.99 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.052 -175.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.92 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 3.4 t-20 -91.66 115.61 28.19 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 173.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.424 ' O ' HG21 ' B' ' 42' ' ' ILE . 40.7 mt-30 -101.98 119.25 38.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 0.0 112.034 -168.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.21 79.22 3.99 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.44 ' HD3' ' OG1' ' A' ' 40' ' ' THR . 15.6 ptpt -70.11 -1.54 10.3 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.212 -169.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.77 -23.81 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.632 0.253 . . . . 0.0 111.388 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.77 -53.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.33 63.39 0.14 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.723 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.534 ' HB3' HD11 ' B' ' 72' ' ' ILE . . . -137.4 147.17 45.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 25.5 m -125.93 124.64 41.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.92 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 72.3 t -107.46 131.04 22.01 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.694 178.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.65 -4.34 11.95 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.993 2.462 . . . . 0.0 112.939 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.717 ' H ' HG12 ' B' ' 63' ' ' VAL . 68.9 t-105 65.98 160.41 0.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.116 0.566 . . . . 0.0 111.347 178.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp 72.74 -15.38 0.51 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.884 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' B' ' 65' ' ' TRP . 23.7 mt-30 -82.72 35.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.582 0.23 . . . . 0.0 110.714 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m 73.07 -47.46 0.67 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.061 0.545 . . . . 0.0 111.308 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' B' ' 71' ' ' GLU . . . 171.76 -23.33 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 t70 77.67 -25.85 0.19 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.756 0.823 . . . . 0.0 111.142 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' B' ' 69' ' ' GLY . 2.6 mp0 56.04 30.27 15.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.78 0.832 . . . . 0.0 112.614 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' B' ' 61' ' ' ALA . 7.0 tt -62.51 127.51 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.118 174.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 74' ' ' HIS . 79.0 tttt -68.42 152.59 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.933 0.397 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.487 ' N ' ' HG2' ' B' ' 73' ' ' LYS . 79.3 m-70 -119.77 168.05 11.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.079 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -54.49 131.63 43.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.766 0.666 . . . . 0.0 111.94 -176.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -70.31 -13.79 62.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.707 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.26 -1.08 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.854 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 71.2 m -97.39 143.28 25.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.619 ' HB2' ' HA ' ' A' ' 33' ' ' ILE . 33.3 Cg_endo -63.94 -9.28 18.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.936 2.424 . . . . 0.0 112.485 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.407 ' O ' ' HD3' ' B' ' 84' ' ' LYS . 44.4 t -57.76 -42.73 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.781 177.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' B' ' 85' ' ' GLN . 7.1 p -66.36 -39.79 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.23 0.538 . . . . 0.0 110.239 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.416 ' O ' HG13 ' B' ' 86' ' ' ILE . 37.7 mm -59.41 -52.82 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.426 177.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.43 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.438 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 6.2 mptp? -63.57 -38.78 92.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.273 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' B' ' 81' ' ' VAL . 47.4 mt-30 -62.97 -41.24 99.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 82' ' ' ILE . 76.0 mt -67.91 -46.39 82.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.421 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' B' ' 34' ' ' ALA . 4.6 pp -71.44 -21.2 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.182 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -84.16 -71.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t 47.38 87.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.266 0.626 . . . . 0.0 111.945 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' B' ' 90' ' ' ARG . 3.4 mmp_? -117.73 90.3 35.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.678 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -90.18 135.18 2.2 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.977 2.451 . . . . 0.0 112.366 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.83 171.82 7.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.141 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.02 149.85 20.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -135.23 143.15 46.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.817 0.341 . . . . 0.0 110.977 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 118.31 13.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.453 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.334 177.891 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 ttp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.604 0.24 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.5 -102.47 2.92 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.866 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -76.3 141.03 41.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.937 0.398 . . . . 0.0 111.388 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -109.32 -168.1 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.573 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.235 0.541 . . . . 0.0 111.573 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -87.43 -172.78 4.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.977 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -138.53 -161.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 74.42 97.02 0.07 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.637 0.732 . . . . 0.0 112.198 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.76 172.06 13.56 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.649 ' HB2' ' OD2' ' A' ' 24' ' ' ASP . 66.1 m-70 -78.42 93.69 4.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.166 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.3 p -77.13 -26.58 53.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.754 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -90.65 113.9 26.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.13 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.77 -99.21 0.14 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.93 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG3' HG22 ' A' ' 25' ' ' THR . 38.9 mtt180 54.55 36.47 25.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.169 0.509 . . . . 0.0 111.682 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -74.66 -34.98 62.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.548 0.69 . . . . 0.0 109.225 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 22' ' ' MET . 1.3 p30 -99.75 127.31 45.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.937 173.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.9 -35.16 7.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -171.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.424 ' O ' ' HG3' ' A' ' 22' ' ' MET . 3.8 t80 -135.26 173.12 12.07 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.984 -175.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CZ ' HG21 ' B' ' 30' ' ' VAL . 69.8 m-85 -76.12 62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.471 -173.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -129.06 -36.91 1.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.802 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.12 45.35 0.67 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.406 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' 16' ' ' ASN . 37.2 mtt -71.28 158.28 36.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.07 0.462 . . . . 0.0 111.224 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 m -145.0 -47.41 0.23 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.561 -171.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.649 ' OD2' ' HB2' ' A' ' 10' ' ' HIS . 4.1 t70 -151.48 -60.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.416 HG22 ' HG3' ' A' ' 14' ' ' ARG . 3.0 m -63.12 -14.31 47.05 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -170.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' HG21 ' A' ' 30' ' ' VAL . . . -56.62 -35.28 68.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.774 0.321 . . . . 0.0 111.588 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.77 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.425 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.67 -45.99 90.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.41 -31.19 24.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 26' ' ' ALA . 73.7 t -61.9 -48.26 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.87 -29.44 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.189 177.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.1 ttmt -59.65 -51.85 68.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.985 -177.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -72.32 -33.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.203 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -65.51 -37.96 88.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' B' ' 79' ' ' PRO . . . -62.84 -47.87 81.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.421 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.4 pp -72.6 -29.6 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 7.0 tp -67.97 -33.04 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.597 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 52.5 mtpt -74.54 -34.01 62.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.503 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -94.75 -40.23 9.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.555 ' HA ' ' HD3' ' A' ' 57' ' ' LYS . . . -82.91 -9.11 59.46 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.617 0.246 . . . . 0.0 111.434 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.3 mt -128.27 87.5 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -142.05 148.52 38.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.529 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.733 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 23.8 pt -82.7 122.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.999 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 m -90.02 112.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 4.4 m -88.27 131.14 34.9 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.205 0.526 . . . . 0.0 111.972 -171.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -78.41 144.63 35.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 166.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -62.04 -38.93 90.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.345 0.593 . . . . 0.0 110.347 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -136.84 102.47 4.89 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.768 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.69 -112.64 0.53 Allowed Glycine 0 C--N 1.314 -0.662 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.653 -175.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.11 139.63 8.04 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.399 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.733 ' HB1' ' HB ' ' A' ' 44' ' ' ILE . . . -72.42 128.36 35.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.862 0.363 . . . . 0.0 110.391 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -104.86 118.76 37.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.646 ' HB2' HG21 ' A' ' 44' ' ' ILE . 7.6 t30 -96.22 118.97 33.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 0.0 110.341 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.756 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 1.7 mp0 -106.65 138.95 41.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.1 t -94.68 92.99 7.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 166.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.572 ' HZ1' ' CD ' ' B' ' 43' ' ' GLU . 28.0 mtpp -52.61 -42.67 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -166.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 HD23 ' HB1' ' B' ' 36' ' ' ALA . 6.8 mp -77.68 -16.27 58.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -175.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 74' ' ' HIS . 82.6 m -97.34 -27.76 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.883 0.373 . . . . 0.0 110.548 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.96 32.58 44.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.102 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.7 143.05 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.756 ' HB3' ' HG3' ' A' ' 55' ' ' GLN . 5.4 p -129.86 140.55 50.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.435 . . . . 0.0 110.926 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.91 140.06 16.75 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -50.02 142.91 25.97 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 122.844 2.363 . . . . 0.0 112.406 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.475 ' H ' ' HE3' ' A' ' 65' ' ' TRP . 2.0 p90 -57.28 -21.98 38.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.332 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.03 -38.91 89.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.973 -173.626 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.79 -102.12 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t 175.08 148.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.283 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.25 5.78 55.71 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -89.77 -47.57 7.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -90.8 -4.46 56.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.969 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.2 tt -74.03 163.13 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.582 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -67.86 138.71 56.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.463 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 p-80 -142.04 -173.95 3.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 -173.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.26 105.66 17.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.533 ' HA ' HG23 ' A' ' 81' ' ' VAL . 14.2 m-20 -73.2 -6.85 48.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.342 0.591 . . . . 0.0 111.084 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.8 -30.29 65.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.833 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.2 p -73.04 146.43 87.32 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.419 . . . . 0.0 111.314 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HB2' HG22 ' B' ' 33' ' ' ILE . 35.1 Cg_endo -65.32 -11.18 29.0 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.022 2.481 . . . . 0.0 113.149 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.444 HG21 HD22 ' A' ' 58' ' ' LEU . 61.0 t -63.86 -39.4 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.267 0.555 . . . . 0.0 109.923 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 76' ' ' ASP . 38.6 t -70.45 -35.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.058 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.3 mm -59.74 -54.61 32.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.042 175.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.86 87.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.27 -45.53 90.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.968 0.414 . . . . 0.0 110.454 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.0 mt -64.18 -52.9 50.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.575 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.38 -21.02 65.63 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.612 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.542 ' HB3' ' HG2' ' A' ' 90' ' ' ARG . 61.7 m -79.89 -34.0 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.745 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.1 m 58.76 36.49 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 111.292 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 16.7 ptm180 -139.67 156.48 71.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.586 -177.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.24 173.56 14.28 Favored 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 122.597 2.198 . . . . 0.0 112.055 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.05 102.41 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.425 ' HB3' HH21 ' A' ' 90' ' ' ARG . 7.3 tt -125.03 130.14 51.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.893 -177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -141.23 132.67 26.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.948 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.19 132.69 34.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.598 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.82 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.557 0.218 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.37 -31.59 2.91 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.862 173.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m 73.65 -69.25 0.19 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.34 0.656 . . . . 0.0 110.686 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' B' ' 5' ' ' HIS . 50.7 m 62.1 -169.87 0.17 Allowed 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.245 0.341 . . . . 0.0 111.591 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' B' ' 4' ' ' SER . 19.1 m80 73.3 123.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.173 0.589 . . . . 0.0 111.743 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -89.77 159.0 17.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.8 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -110.9 109.9 20.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.9 0.381 . . . . 0.0 110.948 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -119.18 122.92 43.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -123.91 140.51 52.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.429 0.633 . . . . 0.0 112.163 -171.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -123.06 131.18 53.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.14 172.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -146.15 104.79 3.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 111.274 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -132.13 114.46 14.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.565 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.46 166.27 54.65 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.597 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -107.78 6.22 27.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.47 81.76 0.14 Allowed 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.735 0.647 . . . . 0.0 109.767 -173.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.12 146.42 37.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.09 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.74 121.49 19.94 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.486 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -80.4 167.58 20.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.985 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.755 ' HA ' ' HE2' ' B' ' 22' ' ' MET . 83.4 m-85 -73.8 2.44 8.38 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -98.41 102.78 14.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.062 0.458 . . . . 0.0 110.266 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.88 -75.44 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.081 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.755 ' HE2' ' HA ' ' B' ' 19' ' ' PHE . 19.1 mmt 67.39 109.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.368 0.604 . . . . 0.0 111.139 -175.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.9 p -84.18 45.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -173.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t70 72.58 -54.03 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 173.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -57.92 -20.04 34.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.427 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.198 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.39 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.245 0.545 . . . . 0.0 110.222 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 20.8 mm-40 -67.91 -28.61 67.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.304 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.01 -44.6 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 110.835 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.445 ' HA ' HG12 ' B' ' 33' ' ' ILE . 84.6 t -66.34 -30.78 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 110.643 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.45 -32.5 74.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.314 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 64.4 mttp -73.56 -43.05 60.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.263 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' A' ' 79' ' ' PRO . 37.5 pt -65.43 -32.82 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' B' ' 83' ' ' ALA . . . -69.3 -38.77 78.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.441 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.6 m -67.31 -29.27 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.464 ' HB1' HD23 ' A' ' 58' ' ' LEU . . . -54.42 -37.82 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.407 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.686 ' HA ' ' HB1' ' B' ' 41' ' ' ALA . 3.8 pp -73.69 -24.62 59.97 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.968 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.43 -26.95 52.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.111 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -68.2 -55.32 12.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.087 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 8.3 t -175.25 83.02 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.397 1.094 . . . . 0.0 111.036 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.686 ' HB1' ' HA ' ' B' ' 37' ' ' LEU . . . -113.29 -37.82 4.59 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.15 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.449 ' O ' ' HE2' ' A' ' 57' ' ' LYS . 32.7 mt -71.1 136.57 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.866 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.572 ' CD ' ' HZ1' ' A' ' 57' ' ' LYS . 7.4 tp10 -117.42 148.03 42.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.44 . . . . 0.0 110.419 -177.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -106.97 121.9 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.149 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' B' ' 53' ' ' HIS . 14.1 m -87.63 115.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -92.53 159.4 15.52 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.034 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.564 ' HG3' ' HA3' ' B' ' 51' ' ' GLY . 36.7 mt-10 -72.13 170.88 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.496 172.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -66.21 -38.78 88.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.83 -50.64 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.985 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.72 -81.87 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . 0.564 ' HA3' ' HG3' ' B' ' 47' ' ' GLU . . . 54.19 -175.31 0.46 Allowed Glycine 0 N--CA 1.439 -1.14 0 CA-C-O 121.703 0.613 . . . . 0.0 114.516 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' B' ' 51' ' ' GLY . . . 172.5 101.55 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.355 -1.423 . . . . 0.0 110.62 171.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.51 ' HB2' HG21 ' B' ' 45' ' ' VAL . 26.8 m-70 -113.03 110.51 20.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.007 0.432 . . . . 0.0 109.996 174.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.583 ' HB3' ' HD2' ' B' ' 64' ' ' PRO . 6.0 t30 -98.33 106.58 18.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.524 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -127.37 146.79 50.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.686 ' HB2' ' HB1' ' B' ' 61' ' ' ALA . 68.0 m -102.08 136.41 41.97 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.025 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -80.41 22.41 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.669 HD21 ' HD2' ' B' ' 79' ' ' PRO . 6.5 mp -104.26 -92.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.246 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' B' ' 74' ' ' HIS . 8.1 p -91.66 4.0 53.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.329 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.65 40.5 6.75 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.861 -176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.686 ' HB1' ' HB2' ' B' ' 56' ' ' CYS . . . -64.19 145.31 56.19 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.4 ' HB3' HD11 ' B' ' 72' ' ' ILE . 12.7 t -100.26 -170.47 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 111.848 -166.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.641 ' O ' ' HA3' ' B' ' 69' ' ' GLY . 58.7 t -95.2 123.13 58.03 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.784 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.583 ' HD2' ' HB3' ' B' ' 54' ' ' ASN . 97.8 Cg_endo -89.46 5.35 4.81 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.898 2.398 . . . . 0.0 112.502 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.503 ' H ' HG13 ' B' ' 63' ' ' VAL . 14.5 t-105 -77.1 -171.41 2.01 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.01 -9.22 58.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.19 -168.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.0 110.661 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.7 m -71.57 93.44 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.449 0.642 . . . . 0.0 110.459 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.641 ' HA3' ' O ' ' B' ' 63' ' ' VAL . . . -148.76 110.05 0.47 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.247 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -146.77 -39.27 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.086 0.47 . . . . 0.0 110.856 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.71 77.94 9.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.792 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' B' ' 62' ' ' SER . 43.8 mm -73.91 98.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.453 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -82.89 105.82 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.274 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.568 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 14.4 p80 -128.92 119.05 23.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.228 0.537 . . . . 0.0 110.219 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.586 ' HB1' ' SG ' ' B' ' 78' ' ' CYS . . . -84.31 147.64 27.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.999 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.25 -4.32 59.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.564 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -94.3 -6.1 45.19 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.518 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . 0.586 ' SG ' ' HB1' ' B' ' 75' ' ' ALA . 89.2 m -65.37 141.65 98.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.669 ' HD2' HD21 ' B' ' 58' ' ' LEU . 51.9 Cg_exo -57.11 -16.41 21.25 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.233 2.622 . . . . 0.0 113.273 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 89.9 t -64.67 -43.67 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.191 0.52 . . . . 0.0 109.905 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.98 -39.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.572 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.433 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.1 mm -62.21 -47.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.412 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB1' ' B' ' 34' ' ' ALA . . . -54.83 -44.94 74.34 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 84.6 mttt -56.51 -50.21 72.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.559 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.81 -27.88 69.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.766 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.8 mt -75.69 -46.64 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 111.093 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.3 -15.73 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.79 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 64.0 m -84.39 90.82 7.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 111.312 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.4 p -80.0 -14.91 58.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.496 0.665 . . . . 0.0 109.684 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 90' ' ' ARG . 13.0 ptt180 -103.98 100.08 19.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.243 173.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -86.54 119.3 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.573 2.182 . . . . 0.0 112.97 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -82.89 111.88 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.369 0.604 . . . . 0.0 110.2 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 94' ' ' HIS . 61.0 tp -75.93 125.28 28.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.412 176.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' B' ' 93' ' ' LEU . 83.3 t60 75.01 134.07 0.05 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.171 0.919 . . . . 0.0 110.342 -176.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.66 107.18 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.555 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.759 175.406 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.88 25.26 3.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.261 -0.971 . . . . 0.0 113.473 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -83.3 88.51 6.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.584 0.707 . . . . 0.0 109.839 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.8 p -84.96 104.08 14.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.241 -175.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -97.05 88.42 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 174.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.02 117.34 7.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -125.31 125.01 42.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.217 -172.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -121.05 87.08 2.69 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 128.78 14.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.418 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -86.02 109.24 18.66 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 m -56.33 130.08 43.12 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.445 0.466 . . . . 0.0 111.527 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -81.38 -166.47 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.104 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.18 151.51 6.12 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.186 -1.007 . . . . 0.0 112.104 176.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.442 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 21.7 ptt180 179.0 -171.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG3' ' HG3' ' A' ' 14' ' ' ARG . 40.7 mt-10 67.64 -168.75 0.19 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -175.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -166.39 105.07 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.512 0.672 . . . . 0.0 111.862 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 HD11 HG23 ' A' ' 23' ' ' THR . 42.1 mt -112.7 119.91 39.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -70.68 167.78 17.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.878 -172.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 20' ' ' GLN . 65.7 m-85 -55.18 150.93 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.138 -173.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' B' ' 22' ' ' MET . 29.9 tt0 79.16 -35.55 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.968 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.82 48.41 0.94 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -94.8 -178.77 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.838 0.351 . . . . 0.0 110.973 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.496 HG23 HD11 ' A' ' 17' ' ' LEU . 15.1 t -157.2 -165.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.979 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.64 -58.31 8.03 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.164 0.586 . . . . 0.0 112.456 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 m -62.13 -36.48 81.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.53 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.84 65.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 111.723 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.03 73.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 7.5 tp10 -75.24 -37.33 61.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.934 -174.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 7.1 m-20 -72.17 -36.43 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.22 -39.41 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 0.0 109.585 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.904 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 58.6 ttt180 -61.38 -38.01 85.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.289 174.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.5 ttmt -58.43 -43.9 88.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.845 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 58.4 mt -61.15 -46.66 96.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.446 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -31.95 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.466 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -72.32 -34.58 68.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.34 68.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 40.8 mt -62.59 -29.48 70.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.7 -176.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.74 -31.59 69.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -92.43 -57.14 2.78 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.003 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 m -116.29 41.11 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.139 0.495 . . . . 0.0 111.659 -169.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -141.78 21.26 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.044 0.45 . . . . 0.0 110.278 172.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.9 109.44 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.56 ' CD ' ' HZ1' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -108.81 161.71 14.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.699 0.761 . . . . 0.0 112.26 -172.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -119.76 126.1 74.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.803 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.71 129.23 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.245 0.545 . . . . 0.0 110.33 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -88.03 137.71 32.09 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.182 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE1' ' HA3' ' A' ' 51' ' ' GLY . 46.3 mt-10 -83.93 142.64 30.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.834 0.35 . . . . 0.0 110.749 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.58 -42.12 98.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.091 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.54 -49.69 38.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.299 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.4 100.64 0.17 Allowed Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.523 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' OE1' ' A' ' 47' ' ' GLU . . . -177.87 160.91 27.66 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.755 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.18 105.21 5.92 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 120.851 0.358 . . . . 0.0 110.284 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -112.97 118.15 34.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.495 HD21 ' HB ' ' A' ' 63' ' ' VAL . 6.4 t30 -81.4 105.94 12.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 175.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -123.65 133.96 53.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.27 0.557 . . . . 0.0 112.004 -166.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.774 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 4.9 p -81.84 113.23 19.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.991 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HZ1' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -61.58 -14.5 30.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.841 -176.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.586 HD23 ' HG2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -140.21 91.44 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 110.268 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.774 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 44.9 t 168.4 -38.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.59 24.45 39.13 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.612 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.54 147.55 45.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.728 0.299 . . . . 0.0 111.294 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -107.57 127.55 53.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.238 0.542 . . . . 0.0 110.474 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.495 ' HB ' HD21 ' A' ' 54' ' ' ASN . 65.0 t -101.25 140.94 21.68 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.398 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 9.3 Cg_endo -53.37 135.18 59.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.581 2.187 . . . . 0.0 112.101 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.452 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 25.4 t-105 -62.73 144.09 56.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.665 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 95.3 mt 75.82 30.18 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 124.094 0.871 . . . . 0.0 110.888 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -111.3 165.58 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.657 173.593 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.1 m -61.94 -38.03 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.757 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.1 -81.55 0.36 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.87 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.76 98.09 4.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 110.363 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.17 27.1 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.141 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.3 tt -144.94 165.87 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.973 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.71 153.74 35.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.727 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 92.5 m-70 -127.09 177.74 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 78' ' ' CYS . . . -87.47 172.91 9.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.234 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.7 -33.04 71.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.795 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.96 16.09 12.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.62 0.724 . . . . 0.0 109.338 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.652 ' HG ' ' HB ' ' A' ' 80' ' ' VAL . 50.2 t -54.48 115.01 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.921 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.586 ' HG2' HD23 ' A' ' 58' ' ' LEU . 54.0 Cg_exo -54.69 -28.28 55.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.246 2.631 . . . . 0.0 112.462 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.652 ' HB ' ' HG ' ' A' ' 78' ' ' CYS . 61.1 t -59.33 -34.76 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 176.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.6 t -73.11 -38.43 55.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.117 0.484 . . . . 0.0 110.063 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.471 HG22 ' HB3' ' B' ' 29' ' ' ASP . 48.3 mm -65.96 -41.81 90.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.024 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -57.46 -42.64 82.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.235 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 88' ' ' SER . 68.4 mttm -58.31 -37.29 74.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.426 . . . . 0.0 110.98 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -71.03 -38.98 72.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.952 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.4 mt -71.62 -40.34 70.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.632 -178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.904 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -80.98 -1.11 42.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.074 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 1.6 t -92.16 176.39 6.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.215 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 p 177.33 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -94.31 125.05 53.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.323 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.875 ' HA ' ' HG3' ' B' ' 15' ' ' GLU . 84.3 Cg_exo -45.71 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.318 2.679 . . . . 0.0 113.452 -176.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -96.56 20.38 10.81 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 64.88 -171.93 0.18 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.213 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.6 m80 71.0 -92.02 0.03 OUTLIER 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.876 0.87 . . . . 0.0 110.598 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 57.15 33.62 23.6 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.406 0.441 . . . . 0.0 111.426 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.248 0.992 0 CA-C-O 117.626 -1.178 . . . . 0.0 109.744 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tmm? . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.65 161.77 36.39 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.19 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -97.84 138.39 35.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -114.09 -173.87 2.36 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.488 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -146.35 110.44 5.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -80.83 85.88 6.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.599 . . . . 0.0 111.644 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -115.24 139.47 49.93 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 174.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -161.62 136.18 7.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 111.334 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -81.73 -179.43 7.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.963 171.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -88.1 141.95 28.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -90.85 67.97 6.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.025 0.44 . . . . 0.0 110.944 -174.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -75.38 104.03 5.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.564 . . . . 0.0 110.396 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.22 164.5 24.81 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -117.5 124.0 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.875 ' HG3' ' HA ' ' A' ' 91' ' ' PRO . 40.6 mm-40 -86.24 94.49 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.708 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -167.49 -177.75 3.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.015 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.17 64.25 4.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -77.29 -5.18 48.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.026 -174.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -74.16 -21.88 59.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.729 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.84 -47.94 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 109.838 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.29 54.23 3.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.424 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.542 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 51.8 tpp -109.6 143.63 39.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.578 0.227 . . . . 0.0 110.536 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -148.31 107.86 3.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.093 0.473 . . . . 0.0 109.931 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.21 -167.98 0.17 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.656 -175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.596 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 51.2 m 72.7 -41.94 0.52 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.445 ' O ' HG22 ' B' ' 30' ' ' VAL . . . -57.32 -46.84 82.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' B' ' 25' ' ' THR . 41.1 mt-10 -57.72 -49.9 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.255 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.784 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 7.4 m-20 -88.71 -25.1 22.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 26' ' ' ALA . 43.0 t -60.4 -38.36 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 109.961 175.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -61.93 -28.74 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.741 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.784 ' HD3' ' HA ' ' B' ' 29' ' ' ASP . 2.9 mptm? -56.18 -55.72 29.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.805 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 pt -74.17 -34.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.703 ' HB3' HD22 ' B' ' 87' ' ' LEU . . . -63.44 -39.95 95.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.263 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' B' ' 39' ' ' LYS . 27.0 m -74.25 -36.07 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 0.0 110.412 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.8 72.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.599 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.809 ' HA ' ' HB1' ' B' ' 41' ' ' ALA . 4.1 pp -70.52 -24.29 62.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.305 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.557 ' HG ' ' HE2' ' B' ' 84' ' ' LYS . 7.9 tt -77.24 -36.19 54.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.197 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 35' ' ' THR . 48.6 mtpt -85.13 -44.68 12.76 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.242 -175.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.547 ' HB ' ' HG2' ' A' ' 57' ' ' LYS . 4.2 m -158.86 90.67 1.0 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.074 0.464 . . . . 0.0 109.988 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.809 ' HB1' ' HA ' ' B' ' 37' ' ' LEU . . . -123.67 -28.25 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.82 HD11 HD22 ' B' ' 54' ' ' ASN . 1.2 pp -104.69 175.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.94 147.0 32.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.605 0.717 . . . . 0.0 111.658 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 1.107 HD11 ' HB3' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -112.13 120.41 62.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.876 172.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.58 122.16 52.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.174 0.511 . . . . 0.0 110.262 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 11.4 p -80.57 153.23 28.17 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.216 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -72.15 178.07 4.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -50.12 -51.0 46.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.281 0.562 . . . . 0.0 109.53 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -171.63 107.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.951 168.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.96 -80.49 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.026 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.45 -161.23 12.43 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.702 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 1.107 ' HB3' HD11 ' B' ' 44' ' ' ILE . . . -145.38 153.35 41.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.311 -0.444 . . . . 0.0 110.389 -176.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -133.21 110.99 10.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.756 0.312 . . . . 0.0 110.421 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.82 HD22 HD11 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -103.54 115.22 30.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -178.663 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -110.04 158.23 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.804 ' HA ' HG23 ' B' ' 42' ' ' ILE . 78.5 m -122.18 103.96 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.2 62.21 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.677 -174.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tp -162.72 -64.38 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.06 13.26 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.254 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.15 56.33 25.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.328 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.31 150.27 38.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -143.43 153.69 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 14.2 p -133.07 139.28 33.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 39.8 Cg_endo -68.0 0.03 4.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.93 2.42 . . . . 0.0 113.436 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' TRP . . . . . 0.447 ' O ' ' HB3' ' B' ' 66' ' ' LEU . 30.4 t-105 70.4 149.72 0.08 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.726 0.641 . . . . 0.0 110.752 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' B' ' 65' ' ' TRP . 53.1 tp 78.11 -47.42 0.46 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.365 0.666 . . . . 0.0 111.639 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -43.68 94.87 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 109.935 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -163.2 159.77 23.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.966 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.79 11.07 12.13 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' B' ' 71' ' ' GLU . 30.6 t70 -138.19 -143.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.492 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 5.6 pt-20 55.08 16.09 1.44 Allowed 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.611 1.164 . . . . 0.0 111.383 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.12 83.86 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -138.27 31.25 2.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.024 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -74.63 -2.31 25.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.031 -174.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.5 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -107.97 -21.57 12.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.764 0.316 . . . . 0.0 111.257 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -91.36 -6.33 53.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.006 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 80.8 m -77.24 132.62 69.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.971 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.46 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -47.88 -44.32 27.47 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.805 3.003 . . . . 0.0 113.947 -175.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.654 HG11 HD13 ' B' ' 37' ' ' LEU . 78.1 t -58.4 -43.83 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.939 0.4 . . . . 0.0 110.851 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 t -74.22 -35.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.395 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.8 mm -52.81 -45.98 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.07 0.462 . . . . 0.0 110.096 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 -36.27 74.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.826 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . 0.557 ' HE2' ' HG ' ' B' ' 38' ' ' LEU . 90.9 mttt -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.42 -37.11 77.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 74.5 mt -70.85 -46.91 66.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.55 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' B' ' 34' ' ' ALA . 4.5 pp -72.51 -14.13 61.58 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 67.5 m -79.21 55.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 111.345 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -76.26 112.9 13.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.631 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 20.8 ptt85 -84.51 143.02 40.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.189 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 35.9 Cg_exo -61.61 147.3 95.69 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.082 2.521 . . . . 0.0 112.981 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -76.85 135.43 38.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.647 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.832 ' H ' HD12 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -92.5 155.22 17.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.887 -178.795 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -99.65 106.17 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.927 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.4 118.3 26.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.244 0.814 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.1 178.445 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 22' ' ' MET . 2.6 mm? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.518 0.199 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -59.92 -60.75 3.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HZ ' ' HA ' ' B' ' 27' ' ' ALA . 63.8 m-85 -85.94 62.59 7.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 49.87 -101.53 0.09 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.765 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.24 57.77 4.24 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.936 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 16.5 ttt -75.59 93.58 3.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.981 0.896 . . . . 0.0 111.461 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -172.72 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.968 -1.469 . . . . 0.0 108.291 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -148.75 -35.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.227 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -72.71 -16.19 61.67 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.936 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -51.69 -42.3 62.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.862 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -29.69 59.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.871 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.679 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 35.8 mm-40 -68.71 -55.41 11.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.752 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.03 -44.05 87.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.799 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG12 HG21 ' A' ' 86' ' ' ILE . 55.0 t -68.3 -37.33 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 1.09 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 35.5 ttp-105 -67.21 -33.18 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 56.8 mttm -57.66 -48.64 78.91 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.147 0.499 . . . . 0.0 109.806 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.655 HG22 HD23 ' A' ' 37' ' ' LEU . 44.0 mt -60.04 -52.12 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.354 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.33 78.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.621 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -65.3 -46.21 81.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.489 . . . . 0.0 110.864 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.354 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.655 HD23 HG22 ' A' ' 33' ' ' ILE . 4.5 pp -65.39 -23.99 67.1 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -176.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.0 tt -80.12 -56.95 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 50.7 mtpt -59.98 -35.86 75.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -172.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.671 ' HB ' ' CB ' ' B' ' 57' ' ' LYS . 75.7 p -104.26 12.23 33.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.612 ' HB1' ' HD3' ' A' ' 57' ' ' LYS . . . -131.01 37.15 3.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.88 0.371 . . . . 0.0 111.073 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.76 123.59 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -106.34 128.5 54.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.463 0.649 . . . . 0.0 111.095 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 pt -82.69 112.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.815 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.638 -177.856 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.548 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 49.0 t-20 -94.73 108.85 20.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.1 128.27 39.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 61' ' ' ALA . 79.4 m -73.22 152.69 40.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.772 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.612 ' HD3' ' HB1' ' A' ' 41' ' ' ALA . 42.8 pttt -38.0 -56.27 1.16 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD23 ' HD2' ' A' ' 79' ' ' PRO . 11.0 mp -92.38 15.02 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.0 m 63.56 11.56 5.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.507 0.323 . . . . 0.0 111.665 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.752 ' HA2' ' HB3' ' A' ' 75' ' ' ALA . . . -74.83 -10.24 83.45 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.751 -177.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -152.58 132.39 13.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -136.3 134.96 38.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.867 0.365 . . . . 0.0 110.332 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 8.7 p -144.7 141.91 18.29 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.239 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.16 146.98 8.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.553 2.169 . . . . 0.0 112.162 173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -65.94 -9.2 27.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.528 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.49 -21.48 66.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.183 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 65.03 96.61 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.897 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -99.88 -43.42 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.598 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.701 171.195 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.5 p80 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.653 0.263 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.752 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -75.06 109.2 8.34 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' HA ' HG11 ' A' ' 81' ' ' VAL . 21.9 t70 -65.52 -30.55 71.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.17 -167.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.28 -23.64 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.471 . . . . 0.0 111.447 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 75.5 m -83.69 140.51 41.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.955 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 27.6 Cg_exo -63.52 0.77 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.508 2.805 . . . . 0.0 113.047 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.426 HG21 ' HA3' ' A' ' 60' ' ' GLY . 46.5 t -64.19 -30.19 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.911 0.386 . . . . 0.0 110.265 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG11 ' HA ' ' A' ' 76' ' ' ASP . 29.1 m -57.36 -47.3 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.004 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.529 ' O ' HG13 ' A' ' 86' ' ' ILE . 10.6 tp -72.35 -36.77 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 110.52 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.257 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.11 -44.94 94.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.848 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -57.97 -37.49 74.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.416 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.67 HG12 ' HE1' ' B' ' 19' ' ' PHE . 75.5 mt -73.95 -50.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.628 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.09 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -76.88 -13.49 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -91.94 -60.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.6 p 50.42 29.27 3.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.031 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.719 -178.28 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.85 0.357 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.67 ' HE1' HG12 ' A' ' 86' ' ' ILE . 19.8 m-85 -101.89 65.9 1.02 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.201 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 61.56 -90.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.35 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.59 -36.85 4.69 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.72 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 22.6 ttt 70.55 -31.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.167 0.987 . . . . 0.0 113.098 173.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -67.19 -15.07 63.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.927 0.394 . . . . 0.0 110.942 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -149.19 -49.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.28 -13.2 61.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.72 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -60.74 -40.31 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 111.614 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HA ' ' HZ ' ' A' ' 19' ' ' PHE . . . -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.199 -171.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.03 -50.83 66.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.696 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.85 -35.69 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 26' ' ' ALA . 74.2 t -63.19 -44.85 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.21 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.092 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' B' ' 31' ' ' ARG . 57.5 tptt -63.77 -50.58 68.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.576 0.227 . . . . 0.0 110.389 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.82 -28.15 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.745 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 83' ' ' ALA . . . -68.64 -32.83 72.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 176.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -69.4 -29.31 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.4 -24.87 47.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.317 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' B' ' 41' ' ' ALA . 82.1 mt -60.27 -44.63 95.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.542 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 38' ' ' LEU . 6.4 mp -78.72 -25.98 44.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.238 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.39 -52.46 64.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.629 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.414 HG21 ' HB2' ' A' ' 57' ' ' LYS . 10.0 t -152.67 -12.92 0.17 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -70.89 -32.88 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.999 -0.438 . . . . 0.0 111.067 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -85.73 129.51 37.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.597 ' HG2' ' HE3' ' B' ' 57' ' ' LYS . 15.3 pt-20 -163.65 -179.0 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.423 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 24.7 pt -99.41 136.31 31.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.937 0.398 . . . . 0.0 111.244 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 m -88.23 139.82 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -78.05 150.29 33.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.266 0.555 . . . . 0.0 111.26 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.407 ' HB2' ' C ' ' B' ' 51' ' ' GLY . 2.2 mm-40 -89.1 170.8 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.695 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -95.82 -28.14 14.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.5 -61.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.718 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.47 68.6 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.77 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' B' ' 47' ' ' GLU . . . -178.22 -141.96 4.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' B' ' 44' ' ' ILE . . . -162.56 172.15 15.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.66 138.82 47.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 48.6 t-20 -83.86 106.58 15.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.222 0.534 . . . . 0.0 111.032 -175.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.55 154.68 38.51 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 164.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.671 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -67.21 -3.43 7.75 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.044 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.479 ' HB2' ' SG ' ' B' ' 78' ' ' CYS . 5.2 mp -128.66 -96.75 0.39 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 172.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' CYS . . . . . 0.935 ' HB2' ' HB2' ' B' ' 78' ' ' CYS . 47.8 m -144.26 6.01 1.29 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 178.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLY . . . . . 0.465 ' HA2' HG23 ' B' ' 81' ' ' VAL . . . -63.03 -22.69 65.1 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.072 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.9 139.8 16.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 7.3 t -166.45 133.5 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.615 0.245 . . . . 0.0 110.614 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 9.1 p -176.81 149.18 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 90.6 Cg_exo -45.03 127.18 8.38 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 121.999 1.8 . . . . 0.0 111.145 169.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.537 ' HA ' ' HB2' ' B' ' 54' ' ' ASN . 30.4 p-90 -59.85 -28.35 67.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.27 -169.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.86 17.34 22.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.228 0.537 . . . . 0.0 110.721 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' B' ' 68' ' ' THR . 52.8 tt0 -111.89 113.27 25.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.466 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.655 HG23 ' H ' ' B' ' 69' ' ' GLY . 3.8 t 45.95 -83.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.793 1.237 . . . . 0.0 113.715 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.655 ' H ' HG23 ' B' ' 68' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.589 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.058 0.456 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.698 ' HB3' ' HB3' ' B' ' 59' ' ' CYS . . . -103.06 114.71 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.59 1.82 15.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -164.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.98 -2.53 37.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.075 0.464 . . . . 0.0 110.45 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.935 ' HB2' ' HB2' ' B' ' 59' ' ' CYS . 50.5 t -110.41 134.5 20.81 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.783 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.59 ' O ' HG22 ' B' ' 82' ' ' ILE . 23.2 Cg_exo -65.51 -6.21 13.16 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.269 2.646 . . . . 0.0 113.047 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.647 HG13 HD13 ' B' ' 37' ' ' LEU . 94.4 t -75.39 -29.71 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.2 0.524 . . . . 0.0 110.235 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.465 HG23 ' HA2' ' B' ' 60' ' ' GLY . 63.9 t -70.25 -38.73 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.59 HG22 ' O ' ' B' ' 79' ' ' PRO . 7.2 tp -57.24 -36.97 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.138 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 34' ' ' ALA . . . -59.09 -44.23 91.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.146 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.14 -44.15 92.06 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.048 0.452 . . . . 0.0 110.323 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.08 -36.24 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.8 mt -60.54 -50.94 78.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.93 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.68 -16.96 61.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -84.57 -31.13 24.51 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.651 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.815 177.257 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.936 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG3' ' NH1' ' A' ' 31' ' ' ARG . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 1.119 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.731 HG23 HG23 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.673 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 23.8 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.673 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 61' ' ' ALA . 11.5 t-160 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HA ' HG21 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.635 HG12 ' HB2' ' B' ' 29' ' ' ASP . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.119 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 52.3 mtt180 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.512 ' HG2' ' HB2' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.936 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.635 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.435 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.802 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.497 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.123 0.487 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.537 ' HB2' HG23 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG22 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.587 HG13 HD13 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.513 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.592 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.128 0.489 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -81.89 175.31 10.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.323 -172.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -61.58 164.76 5.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.187 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 77.36 -15.4 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.924 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.81 -101.12 1.46 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.7 ptp 50.57 -167.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.602 1.161 . . . . 0.0 113.72 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 25' ' ' THR . 15.2 t -177.87 -159.82 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.289 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.1 -25.26 61.11 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.586 ' H ' HG23 ' A' ' 23' ' ' THR . 6.5 m -58.04 -35.64 71.6 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.701 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -66.49 -22.32 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.54 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.61 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' HG3' ' HE3' ' A' ' 32' ' ' LYS . 8.4 tp10 -69.49 -46.34 66.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.7 m-20 -69.6 -39.88 77.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.301 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' ALA . 52.6 t -65.89 -33.21 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.131 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 33.0 ttm180 -59.28 -46.68 87.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 173.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HE3' ' HG3' ' A' ' 28' ' ' GLU . 85.2 mttt -53.63 -54.55 36.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.232 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.75 -34.7 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.623 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -66.93 -31.67 72.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 0.0 110.698 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.1 m -61.38 -29.09 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.431 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' B' ' 79' ' ' PRO . . . -54.46 -26.95 34.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.769 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.81 -34.0 75.15 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.77 -24.47 60.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -75.74 -38.67 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.385 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 t -142.45 -25.11 0.65 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.29 -33.39 49.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.02 -0.425 . . . . 0.0 111.008 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.445 HD12 ' SG ' ' A' ' 56' ' ' CYS . 12.7 mm -123.4 91.78 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.528 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -148.2 169.48 19.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.123 0.487 . . . . 0.0 111.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 44' ' ' ILE . 26.1 pt -96.32 121.38 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.783 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.319 -0.724 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.303 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.47 0.176 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -84.72 114.36 21.98 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -121.17 149.03 43.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.4 0.619 . . . . 0.0 111.515 -172.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.445 ' SG ' HD12 ' A' ' 42' ' ' ILE . 70.9 m -114.57 101.27 8.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.909 169.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -67.26 -16.09 64.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' B' ' 41' ' ' ALA . 10.9 mp -81.85 15.57 2.18 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.691 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -161.76 -39.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.958 0.408 . . . . 0.0 110.585 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.47 7.6 39.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.407 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.72 137.6 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -149.92 127.2 11.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.807 0.336 . . . . 0.0 110.461 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG22 ' HD2' ' A' ' 64' ' ' PRO . 4.4 p -130.05 146.26 60.68 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.457 ' HD2' HG22 ' A' ' 63' ' ' VAL . 85.6 Cg_exo -48.91 139.92 24.52 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.291 1.994 . . . . 0.0 111.71 172.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 11.5 p-90 -62.51 167.76 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -176.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 65' ' ' TRP . 10.1 tt 79.17 -43.36 0.31 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.54 0.736 . . . . 0.0 111.7 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.29 155.84 20.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -86.24 -46.83 9.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.642 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.335 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 . . . . . 0 CA--C 1.516 -0.353 0 CA-C-O 121.151 0.5 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.99 165.5 13.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.908 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -73.73 -26.47 60.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.363 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.25 -13.81 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.484 ' O ' HG22 ' A' ' 81' ' ' VAL . 30.3 p -78.09 131.97 68.24 Favored Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.57 -174.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 16.5 Cg_exo -67.9 -0.33 5.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.979 2.453 . . . . 0.0 112.371 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 36.1 t -67.34 -34.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.499 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 78' ' ' CYS . 19.5 m -59.38 -43.67 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp -75.96 -39.69 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -49.31 74.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.671 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 53.7 mtpt -54.68 -51.96 63.87 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -49.82 -39.73 39.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.645 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.4 -51.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.645 0.26 . . . . 0.0 111.695 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' HB1' ' A' ' 34' ' ' ALA . 4.6 pp -71.35 -19.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.61 0.243 . . . . 0.0 111.632 -174.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -93.08 -39.82 10.86 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m 60.63 21.66 11.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.603 0.716 . . . . 0.0 110.055 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.787 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 121.152 0.501 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' B' ' 20' ' ' GLN . 40.9 m-85 -84.46 -5.82 59.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.981 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.487 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 7.8 tp60 76.0 135.8 0.06 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.125 0.89 . . . . 0.0 109.521 -169.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.45 -91.72 1.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.03 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' MET . . . . . 1.027 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 37.1 ttm 64.81 179.21 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.848 0.459 . . . . 0.0 110.449 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 33.1 p 52.93 89.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.318 0.647 . . . . 0.0 111.844 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 23' ' ' THR . 27.0 m-20 73.84 -60.67 0.52 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.964 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.1 m -61.52 -22.06 64.79 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.607 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 1.027 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -55.24 -32.02 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.011 0.434 . . . . 0.0 111.368 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' B' ' 31' ' ' ARG . . . -73.17 -27.31 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.05 -50.93 52.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.451 ' O ' HG13 ' B' ' 33' ' ' ILE . 3.5 m-20 -66.59 -45.9 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.64 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.24 -36.76 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.45 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 27.7 ttm180 -58.79 -44.88 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.033 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.9 -45.59 93.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.306 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 29' ' ' ASP . 27.0 mt -62.29 -41.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.009 0.433 . . . . 0.0 110.172 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.514 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.78 -31.73 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.425 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -64.64 -30.76 71.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.17 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.017 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.625 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 23.9 mt -65.83 -38.15 88.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.668 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.12 -25.77 42.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' B' ' 40' ' ' THR . 29.2 mmmt -76.72 -58.48 3.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.757 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 39' ' ' LYS . 13.5 t 179.77 37.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.558 0.694 . . . . 0.0 111.684 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.696 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -62.54 -28.62 69.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.391 0.615 . . . . 0.0 110.381 174.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.979 HD13 ' HA ' ' B' ' 56' ' ' CYS . 13.1 mt -99.37 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.41 ' H ' HG22 ' B' ' 42' ' ' ILE . 37.4 tt0 -103.69 148.29 26.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.499 0.666 . . . . 0.0 111.03 -173.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.531 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 36.2 mm -87.22 114.31 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.065 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 53' ' ' HIS . 4.9 m -89.81 106.3 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 33.7 p -101.67 140.79 35.49 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.629 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.86 140.86 29.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.3 -58.42 5.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.304 0.574 . . . . 0.0 110.972 -174.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -132.0 105.58 7.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.506 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.29 -46.68 0.29 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.785 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.4 159.65 8.87 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.712 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -92.57 153.02 19.29 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.437 ' HB2' HG23 ' B' ' 45' ' ' VAL . 93.3 m-70 -135.58 142.54 45.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.603 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.968 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 49.7 t-20 -105.18 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -108.5 100.81 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.145 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.979 ' HA ' HD13 ' B' ' 42' ' ' ILE . 58.3 m -59.26 104.23 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.474 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.46 -1.06 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.184 -170.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.476 HD22 HG23 ' B' ' 80' ' ' VAL . 6.3 mp -115.72 -57.31 2.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.011 -0.431 . . . . 0.0 111.859 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 7.5 p -82.89 -5.46 59.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.79 64.16 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.833 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.437 ' H ' ' HB2' ' B' ' 56' ' ' CYS . . . -108.41 160.11 16.14 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.707 -0.29 . . . . 0.0 110.594 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -124.55 129.27 50.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 0.0 110.411 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.968 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 58.8 t -100.57 130.46 25.53 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.244 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 20.8 Cg_exo -67.86 5.34 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.591 2.861 . . . . 0.0 113.563 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.648 ' H ' HG12 ' B' ' 63' ' ' VAL . 49.0 t90 75.51 147.85 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.49 0.716 . . . . 0.0 111.287 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp 63.41 24.99 14.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.227 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -152.56 148.19 27.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.772 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -59.37 -32.22 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.571 0.544 . . . . 0.0 112.231 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.749 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.27 122.61 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.55 ' HA ' HG21 ' B' ' 81' ' ' VAL . 25.1 t70 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 111.388 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -92.12 -6.49 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.834 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.539 ' O ' HG22 ' B' ' 81' ' ' VAL . 27.3 p -88.1 152.7 50.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.906 -176.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 36' ' ' ALA . 39.7 Cg_exo -61.73 -28.81 82.52 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.84 2.36 . . . . 0.0 112.738 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.476 HG23 HD22 ' B' ' 58' ' ' LEU . 60.8 t -59.99 -46.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.549 -176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.55 HG21 ' HA ' ' B' ' 76' ' ' ASP . 34.6 m -68.01 -36.94 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.33 -176.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.453 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.9 mm -54.68 -50.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.232 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.29 94.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -61.6 -36.33 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.605 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -73.65 -34.45 64.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.859 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.9 mt -74.95 -40.28 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.514 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.5 pp -71.09 -11.4 60.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.77 0.319 . . . . 0.0 111.519 -177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -81.42 66.19 6.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 0.0 110.305 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.478 ' OH ' ' HA ' ' B' ' 86' ' ' ILE . 52.0 t80 -90.63 84.44 5.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.758 0.789 . . . . 0.0 112.017 -174.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 87.5 m-85 60.73 -178.13 0.11 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.691 -1.595 . . . . 0.0 113.942 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 64.98 -76.04 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.615 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.53 3.91 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 26' ' ' ALA . 95.8 mmm -87.67 120.19 28.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 111.48 -175.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -146.39 134.83 21.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.725 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 63.62 -81.12 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.401 0.68 . . . . 0.0 112.431 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.2 m -75.72 2.13 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.566 0.698 . . . . 0.0 110.713 -174.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 22' ' ' MET . . . -56.86 -36.68 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.683 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.45 71.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 14.6 mm-40 -61.26 -52.12 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.285 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.461 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 16.8 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 0.0 111.636 -174.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.03 -46.56 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.606 0.241 . . . . 0.0 111.225 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -64.89 -27.4 68.84 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 15.1 ttmm -52.19 -48.95 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.516 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.584 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 22.8 mt -65.16 -45.29 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.111 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.8 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.876 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 m -64.09 -42.29 96.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB1' HD11 ' B' ' 58' ' ' LEU . . . -63.23 -45.02 93.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.42 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.69 -27.23 61.96 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 tp -72.02 -26.24 62.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.375 0.607 . . . . 0.0 110.424 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -91.45 -10.96 39.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.956 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.513 ' O ' HG12 ' A' ' 42' ' ' ILE . 32.0 p -131.34 -100.21 0.3 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.31 -66.07 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.157 0.983 . . . . 0.0 112.906 -176.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.655 HD12 HD21 ' A' ' 54' ' ' ASN . 13.0 pt -71.49 175.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.922 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.3 145.29 24.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.799 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.2 pt -114.87 112.37 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 121.12 0.486 . . . . 0.0 111.51 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG22 ' NE2' ' A' ' 55' ' ' GLN . 23.3 m . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.655 HD21 HD12 ' A' ' 42' ' ' ILE . 50.6 t-20 -93.94 115.53 27.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.566 ' NE2' HG22 ' A' ' 45' ' ' VAL . 3.0 mp0 -96.71 112.41 24.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.81 0.338 . . . . 0.0 111.696 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.442 ' HA ' HG22 ' A' ' 42' ' ' ILE . 84.7 m -79.89 96.4 6.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 171.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -48.01 -52.02 21.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.852 -170.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.667 HD23 ' HD2' ' A' ' 79' ' ' PRO . 8.5 mp -63.04 -47.14 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.7 p -95.29 -2.59 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.618 -174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.52 31.52 81.03 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.97 51.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.699 0.285 . . . . 0.0 110.575 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 p -111.89 130.48 55.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.515 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.2 p -130.48 138.29 32.71 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.919 -177.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.48 144.85 39.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.566 2.177 . . . . 0.0 112.468 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -62.23 -8.68 6.09 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.394 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.84 -17.08 61.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.641 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -101.35 175.32 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 111.037 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 m -79.65 -21.3 44.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.133 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.515 ' HA2' HG11 ' A' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.577 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.1 m80 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.34 153.64 42.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.88 -13.9 58.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.21 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.95 0.66 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.354 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.574 ' O ' HG22 ' A' ' 81' ' ' VAL . 63.1 m -91.98 114.64 62.7 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.293 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.667 ' HD2' HD23 ' A' ' 58' ' ' LEU . 19.1 Cg_endo -59.45 -3.69 2.03 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.261 2.641 . . . . 0.0 114.195 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.541 HG23 HD22 ' A' ' 58' ' ' LEU . 77.5 t -63.39 -31.92 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.247 176.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 78' ' ' CYS . 27.9 m -63.4 -36.59 76.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.08 0.467 . . . . 0.0 110.506 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.6 mm -67.33 -45.8 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.15 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.81 81.3 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.246 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.73 -46.72 84.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.104 0.478 . . . . 0.0 110.671 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.83 ' HB3' ' HD3' ' A' ' 90' ' ' ARG . 40.4 mt-30 -62.35 -30.51 71.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' ILE . 62.5 mt -74.97 -49.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.233 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.87 -14.96 60.28 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -99.38 9.44 43.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 110.666 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.1 p 48.56 74.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.348 0.659 . . . . 0.0 112.409 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.83 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 29.7 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.239 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.44 ' HD2' ' H ' ' B' ' 20' ' ' GLN . 51.8 t80 . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' B' ' 22' ' ' MET . 18.5 m-85 -54.18 -40.43 67.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.44 ' H ' ' HD2' ' B' ' 18' ' ' TYR . 24.4 tt0 -72.95 116.3 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.86 -68.68 1.72 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -167.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.543 ' HB2' ' O ' ' B' ' 19' ' ' PHE . 9.0 ttt 64.83 -75.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.935 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 34.7 p 45.56 -87.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -126.14 -54.94 1.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -167.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -61.87 -15.4 42.14 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.64 67.52 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.004 -0.435 . . . . 0.0 111.259 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.15 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 109.4 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.778 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 33.9 mt-10 -78.03 -31.49 50.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.399 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.22 -52.66 63.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.27 0.557 . . . . 0.0 109.964 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -45.81 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.753 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.778 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 27.6 ptt180 -66.24 -29.15 69.34 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.203 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -61.58 -40.13 93.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.047 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 79' ' ' PRO . 46.8 mt -77.55 -41.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.083 0.468 . . . . 0.0 110.249 177.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.661 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.36 -31.25 65.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 97.1 m -54.64 -30.55 55.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.43 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.35 80.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.5 pp -73.87 -24.59 59.75 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.62 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.763 HD11 HD22 ' B' ' 87' ' ' LEU . 95.2 mt -70.46 -30.94 67.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.347 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' B' ' 39' ' ' LYS . 39.8 mtpt -74.02 -57.9 3.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 176.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -165.59 89.91 0.46 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 122.263 1.03 . . . . 0.0 112.146 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -114.74 -4.67 12.7 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.617 166.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -71.1 141.08 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.924 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.688 ' HB2' ' HE3' ' B' ' 57' ' ' LYS . 19.4 tt0 -102.46 137.49 40.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.445 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' B' ' 54' ' ' ASN . 26.5 mm -124.58 116.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.286 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' B' ' 53' ' ' HIS . 7.1 m -105.58 105.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.784 169.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.654 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.6 m -85.61 125.29 33.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.088 -174.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.33 152.44 34.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.731 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -38.09 53.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.083 0.468 . . . . 0.0 110.797 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -104.69 -44.93 4.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.28 -9.34 85.75 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.502 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.79 170.39 44.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.062 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.654 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -66.45 135.95 55.0 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 171.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.526 ' HB2' HG23 ' B' ' 45' ' ' VAL . 24.6 m80 -114.4 124.87 53.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.372 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' B' ' 44' ' ' ILE . 37.3 t-20 -86.94 111.08 20.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.572 ' HA ' ' HB2' ' B' ' 62' ' ' SER . 19.0 mt-30 -127.61 142.58 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.22 0.533 . . . . 0.0 111.374 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' B' ' 59' ' ' CYS . 37.5 t -102.66 116.77 33.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.688 ' HE3' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -76.59 -1.08 25.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.398 -175.295 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.507 HD11 ' HB1' ' A' ' 36' ' ' ALA . 12.2 tp -80.96 -39.55 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' B' ' 56' ' ' CYS . 7.5 p -101.32 -41.58 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.97 1.66 56.07 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.634 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.6 134.43 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.572 ' HB2' ' HA ' ' B' ' 55' ' ' GLN . 65.0 m -153.54 -166.93 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.469 HG11 ' HA2' ' B' ' 69' ' ' GLY . 15.0 p -110.77 145.2 31.86 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.139 -164.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' B' ' 63' ' ' VAL . 10.2 Cg_endo -54.38 151.03 31.34 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.165 2.577 . . . . 0.0 113.493 176.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 38.5 t-105 -66.22 163.06 18.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.301 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 92.1 mt 78.52 -19.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.093 0.957 . . . . 0.0 111.897 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -93.87 164.42 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -56.4 113.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.965 0.412 . . . . 0.0 110.504 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.469 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.544 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.669 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 135.35 34.22 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.407 ' HA ' HG21 ' B' ' 81' ' ' VAL . 2.2 m-20 -76.25 -5.06 45.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.451 0.643 . . . . 0.0 109.739 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.66 -16.21 58.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.871 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 76.4 m -66.96 135.4 94.1 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.747 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.584 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.0 Cg_exo -56.92 -18.42 27.76 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.337 2.691 . . . . 0.0 113.457 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.4 HG23 HD23 ' B' ' 58' ' ' LEU . 49.3 t -56.08 -43.88 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.013 0.435 . . . . 0.0 110.748 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' B' ' 76' ' ' ASP . 47.9 t -69.49 -42.35 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.625 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 33' ' ' ILE . 46.3 mm -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.942 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.95 92.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -58.9 -47.41 85.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.505 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -55.36 -36.42 66.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.137 0.494 . . . . 0.0 110.597 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.478 ' HA ' ' OH ' ' A' ' 18' ' ' TYR . 72.6 mt -75.07 -54.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.917 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.763 HD22 HD11 ' B' ' 38' ' ' LEU . 4.5 pp -72.54 -17.1 61.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -88.37 -21.0 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.539 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.279 0.561 . . . . 0.0 110.363 178.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.702 ' HB3' ' HA ' ' A' ' 22' ' ' MET . 91.7 mt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.871 0.367 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -97.44 -175.76 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.752 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.692 ' HD2' ' HB3' ' B' ' 22' ' ' MET . 64.0 m-85 -55.75 158.49 3.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.348 0.259 . . . . 0.0 111.284 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? 79.91 -35.52 0.14 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.921 0.888 . . . . 0.0 110.959 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 45.21 1.02 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.685 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.702 ' HA ' ' HB3' ' A' ' 17' ' ' LEU . 12.9 ptp -87.63 -24.31 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p 50.01 -95.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.43 -64.5 1.29 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -53.71 -32.91 53.78 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -168.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 22' ' ' MET . . . -60.05 -25.17 65.14 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -63.86 -27.45 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.013 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -84.53 -38.62 19.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -62.52 -45.9 90.88 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.158 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -30.35 42.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 25.5 ttm-85 -63.67 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.831 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -63.41 -49.59 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.993 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' B' ' 79' ' ' PRO . 32.7 pt -65.27 -33.35 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.215 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.08 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 111.218 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 m -76.62 -30.34 56.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -52.71 -44.44 66.33 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 38' ' ' LEU . 4.0 pp -69.12 -33.83 74.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 111.389 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 37' ' ' LEU . 39.1 tp -78.91 -26.47 43.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.543 0.687 . . . . 0.0 110.202 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HG3' HG23 ' A' ' 40' ' ' THR . 47.1 tptt -74.61 -36.51 62.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.728 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 ' HG3' ' A' ' 39' ' ' LYS . 7.3 p -133.3 -56.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.15 65.78 3.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.313 0.577 . . . . 0.0 111.664 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 56' ' ' CYS . 11.1 tp -146.93 154.26 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.729 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.42 141.87 36.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.305 0.574 . . . . 0.0 110.674 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.47 HG22 ' HA ' ' A' ' 54' ' ' ASN . 1.3 pp -133.04 134.18 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.713 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.318 -0.783 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 176.133 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.708 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 28.0 t-20 -88.62 137.47 32.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.894 -176.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.44 110.47 13.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.8 ' HA ' HD11 ' A' ' 42' ' ' ILE . 77.5 m -68.05 111.66 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -79.25 38.25 0.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.234 -162.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -157.27 13.38 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 56' ' ' CYS . 23.8 p -152.17 -31.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.89 2.83 68.82 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.177 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.7 137.6 38.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.014 0.407 . . . . 0.0 110.232 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.3 p -100.11 123.93 44.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.45 0.643 . . . . 0.0 110.246 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 85.2 t -106.55 143.92 27.98 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.55 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 69' ' ' GLY . 70.6 Cg_exo -56.34 7.5 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.999 3.133 . . . . 0.0 114.468 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.708 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 0.0 OUTLIER 85.62 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.748 1.219 . . . . 0.0 112.171 173.045 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.7 tp -76.94 79.27 3.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.717 0.294 . . . . 0.0 111.012 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 61.42 -88.21 0.02 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.131 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.2 m -103.19 -20.93 13.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' HA3' ' HD2' ' A' ' 64' ' ' PRO . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -171.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 p80 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.37 98.77 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 168.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.75 -29.7 70.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.98 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -80.16 -23.42 41.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.798 0.332 . . . . 0.0 110.956 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 60.1 m -80.45 118.61 73.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -176.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 32.7 Cg_exo -60.33 -23.67 75.21 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.341 2.694 . . . . 0.0 113.222 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.78 -34.81 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.658 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.34 -36.56 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.53 -47.64 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.937 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.15 -42.99 70.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.814 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' HA ' ' HG ' ' A' ' 87' ' ' LEU . 89.2 mttt -62.48 -44.73 95.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.839 0.352 . . . . 0.0 110.731 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -59.28 -40.41 86.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.532 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.01 -50.86 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.438 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 83' ' ' ALA . 4.0 pp -69.84 -16.97 63.35 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 t -88.05 -36.52 16.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m 65.91 23.1 11.31 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.703 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 36.1 mmt180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 t80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 64.17 17.85 10.92 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.712 0.632 . . . . 0.0 110.854 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -112.83 -36.32 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.716 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -164.43 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.975 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.692 ' HB3' ' HD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER 77.59 132.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.362 0.665 . . . . 0.0 111.521 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -118.29 -170.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -44.19 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.288 0.635 . . . . 0.0 112.082 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.9 m -66.16 -32.24 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.051 0.453 . . . . 0.0 111.469 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.99 -22.69 67.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.201 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.24 -29.98 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.299 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.469 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 36.2 tt0 -78.44 -36.85 44.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.73 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.48 -53.63 45.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.52 -34.69 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.397 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.469 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 12.5 ptm180 -73.58 -30.17 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.729 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.22 -45.24 81.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.615 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.06 -33.96 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.83 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -68.39 -34.84 76.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.113 0.482 . . . . 0.0 110.845 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 27.0 m -76.28 -30.46 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.5 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.741 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.4 pp -67.81 -30.57 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.666 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 33.8 tp -80.18 -26.0 39.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 0.0 110.848 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.73 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.1 OUTLIER -56.45 -38.05 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.266 -178.557 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.711 HG23 ' H ' ' B' ' 41' ' ' ALA . 2.0 t -113.41 -71.46 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.326 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.711 ' H ' HG23 ' B' ' 40' ' ' THR . . . 66.87 -43.57 0.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.455 HG22 ' OD1' ' B' ' 54' ' ' ASN . 7.8 mm -122.42 101.14 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -170.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.49 -178.87 3.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.28 142.42 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.596 HG13 ' HE2' ' B' ' 57' ' ' LYS . 7.7 m -111.24 132.29 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -88.15 135.91 33.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.115 0.483 . . . . 0.0 112.112 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.25 152.98 41.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.404 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.89 -36.86 30.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.416 . . . . 0.0 110.099 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.21 -46.77 66.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.12 92.97 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.47 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.19 -175.21 44.24 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.49 21.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.119 0.485 . . . . 0.0 111.43 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.444 ' HB2' HG23 ' B' ' 45' ' ' VAL . 81.1 m-70 -106.52 112.19 25.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.402 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.455 ' OD1' HG22 ' B' ' 42' ' ' ILE . 66.0 t30 -95.98 105.72 17.79 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -156.36 157.33 35.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.935 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.74 123.05 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.598 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 33.1 mmtp -62.85 -11.72 20.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -171.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.456 HD21 ' HB1' ' A' ' 36' ' ' ALA . 5.9 mp -82.69 -105.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 83.8 m -151.6 12.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' B' ' 74' ' ' HIS . . . -87.86 -12.84 65.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.742 -0.742 . . . . 0.0 114.003 -170.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.18 130.77 8.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.601 0.7 . . . . 0.0 111.967 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 38.2 t -139.56 123.56 17.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.61 138.5 13.48 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.234 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.36 140.8 71.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.19 1.926 . . . . 0.0 111.292 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -69.9 -11.3 60.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.268 0.556 . . . . 0.0 110.961 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 22.58 5.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -144.79 162.91 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.013 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -78.16 147.19 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.784 0.326 . . . . 0.0 110.404 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 74' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' B' ' 60' ' ' GLY . 81.1 m-70 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.425 ' H ' ' HA2' ' B' ' 60' ' ' GLY . . . -66.52 144.53 56.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.707 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -80.11 -6.71 58.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.961 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.89 -12.68 60.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.141 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.466 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 68.4 m -99.0 145.35 29.82 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.876 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 16.6 Cg_exo -68.4 3.0 2.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.472 2.781 . . . . 0.0 112.7 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 44.9 t -60.54 -31.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.254 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.5 -46.19 47.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.721 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.3 -43.78 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' B' ' 87' ' ' LEU . . . -57.95 -44.25 86.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 8.2 mtpm? -52.97 -52.61 57.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.393 0.616 . . . . 0.0 110.845 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.19 -39.98 95.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.796 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.26 -52.14 50.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 83' ' ' ALA . 4.5 pp -70.69 -16.75 62.82 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 71.3 m -70.8 -50.41 35.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.471 0.625 0 C-N-CA 123.868 0.867 . . . . 0.0 111.8 -175.326 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.1 166.04 16.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.983 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 27' ' ' ALA . 97.2 m-85 -64.16 -19.12 65.08 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.841 -176.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -82.9 95.31 7.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.83 -95.73 0.58 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.518 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 15.4 mmt 68.5 -36.4 0.32 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' ' 22' ' ' MET . 87.7 m 74.2 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.259 0.35 . . . . 0.0 111.627 173.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -169.57 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.119 0.485 . . . . 0.0 110.525 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 m -67.01 -6.12 15.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.443 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 22' ' ' MET . . . -55.67 -36.37 67.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.346 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -74.15 -28.3 61.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.041 0.448 . . . . 0.0 110.785 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -56.28 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.505 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 2.3 m-20 -65.66 -23.78 66.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.217 -173.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.613 HG11 HG21 ' A' ' 86' ' ' ILE . 74.5 t -69.47 -44.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.989 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 26.7 mtm180 -66.39 -38.46 87.57 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 79.5 tttt -52.93 -49.67 65.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.713 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.916 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 25.4 pt -72.79 -33.62 44.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.693 0.283 . . . . 0.0 111.357 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.658 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -67.44 -32.45 73.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -57.35 -30.61 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.374 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -61.92 -45.11 95.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.675 0.274 . . . . 0.0 111.188 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.5 pp -78.57 -23.41 46.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.491 HD12 HD12 ' A' ' 37' ' ' LEU . 7.9 mp -73.63 -26.94 61.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.757 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -87.97 -41.26 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.489 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 p -133.95 -89.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.084 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 64.06 -65.41 0.13 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.864 0.866 . . . . 0.0 112.286 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.595 HD13 ' HA3' ' A' ' 69' ' ' GLY . 57.7 mt -54.7 122.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 -173.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -104.16 164.89 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.287 0.565 . . . . 0.0 111.045 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.26 116.17 46.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.571 0.701 . . . . 0.0 109.668 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.491 -178.083 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 67.4 t30 -95.45 128.87 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.504 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -120.94 154.57 35.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.213 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 25.7 p -103.1 163.49 12.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 110.633 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' B' ' 40' ' ' THR . 37.0 mttp -95.55 84.63 4.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.205 0.526 . . . . 0.0 110.187 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 7.7 mp 74.0 106.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.812 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.651 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 44.3 t 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.123 -1.398 . . . . 0.0 108.588 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.91 51.19 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.935 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.26 158.57 39.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -145.09 157.01 44.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.876 0.37 . . . . 0.0 110.537 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 9.7 p -150.79 142.59 15.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.334 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.58 132.43 45.47 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.204 1.936 . . . . 0.0 111.722 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -65.96 -8.0 20.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.85 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.76 -27.62 66.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.463 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -98.47 -170.62 1.98 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.653 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.2 t -92.01 172.79 8.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.595 ' HA3' HD13 ' A' ' 42' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.901 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.607 -175.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.708 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.47 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.959 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -79.33 -14.94 58.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.384 0.612 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.19 -16.63 64.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.115 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 59' ' ' CYS . 8.2 m -90.18 125.73 59.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.646 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 35.2 Cg_exo -60.87 -15.18 36.71 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.444 2.763 . . . . 0.0 113.183 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.37 -29.45 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.36 -30.69 50.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.015 0.435 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.3 mm -61.8 -46.11 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 176.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.22 78.08 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.794 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -68.3 -28.98 67.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.915 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.96 -39.55 72.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.592 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.613 HG21 HG11 ' A' ' 30' ' ' VAL . 76.7 mt -64.49 -48.12 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.257 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.77 -20.48 64.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 111.141 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -82.84 -37.97 23.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t 67.98 -173.18 0.19 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.785 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.007 -176.361 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.01 153.58 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 59.35 24.58 13.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.441 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.11 52.66 0.72 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.415 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 64.7 mtt -107.85 125.55 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.391 0.615 . . . . 0.0 111.742 -170.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -154.52 -40.33 0.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.499 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.96 -57.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -57.25 -53.76 54.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -25.52 33.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -69.25 -28.65 66.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.982 0.42 . . . . 0.0 110.904 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.2 -42.21 23.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.432 -176.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -61.93 -45.77 92.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.291 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.84 -32.9 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.751 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -65.89 -30.98 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -49.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.713 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.3 pt -72.92 -30.48 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.957 0.408 . . . . 0.0 111.065 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -69.15 -32.33 71.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.044 0.45 . . . . 0.0 111.231 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.452 ' HA ' HD23 ' B' ' 38' ' ' LEU . 83.7 m -60.11 -28.7 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.764 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.7 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.588 HD13 HG13 ' B' ' 80' ' ' VAL . 4.6 pp -67.76 -23.96 65.29 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.389 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' B' ' 35' ' ' THR . 3.5 mm? -65.06 -26.09 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.75 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -91.84 -31.76 15.59 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.853 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.449 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 2.2 t -158.46 91.57 1.09 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.162 0.982 . . . . 0.0 111.323 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.7 8.96 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.471 170.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.442 HG21 ' ND2' ' B' ' 54' ' ' ASN . 69.7 mt -126.81 144.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.619 -174.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' B' ' 57' ' ' LYS . 4.5 tp10 -104.66 145.53 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -112.31 111.56 36.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.519 0.676 . . . . 0.0 110.765 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' B' ' 53' ' ' HIS . 6.3 m -106.61 106.29 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.929 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 36.1 t -92.66 141.85 28.02 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.03 178.97 5.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.894 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -72.55 -43.38 63.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.035 -176.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -130.59 -22.76 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.964 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.84 -101.97 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.523 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.05 -168.61 25.26 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.987 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -79.05 158.49 27.85 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.807 0.337 . . . . 0.0 111.041 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.448 ' HB2' HG23 ' B' ' 45' ' ' VAL . 86.8 m-70 -140.12 137.59 34.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.453 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 18.3 t-20 -90.58 117.18 29.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.876 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -123.75 127.39 48.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 111.673 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.84 98.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' B' ' 57' ' ' LYS . 2.0 tmtp? -69.48 -21.48 63.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.194 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' B' ' 78' ' ' CYS . 7.5 tp -85.57 8.17 20.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.855 -174.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 48.4 t -153.45 -42.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.131 0.491 . . . . 0.0 110.887 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.17 61.29 0.7 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.406 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 130.68 44.4 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -101.94 135.88 42.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.075 0.464 . . . . 0.0 110.773 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 7.2 p -138.56 137.82 20.96 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.721 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.16 131.96 32.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.794 2.329 . . . . 0.0 112.88 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 7.8 p90 -73.36 164.68 26.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.213 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 70.85 20.25 5.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -121.52 162.01 21.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -74.62 -25.98 59.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.828 176.197 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.723 0.296 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.21 115.18 22.3 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.542 ' HA ' HG21 ' B' ' 81' ' ' VAL . 53.8 m-20 -72.51 -8.83 57.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.096 0.474 . . . . 0.0 110.803 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.25 -22.35 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.984 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.588 ' HB3' HD23 ' B' ' 58' ' ' LEU . 80.6 m -64.76 127.22 92.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -177.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.916 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -52.39 -23.94 20.12 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 123.751 2.967 . . . . 0.0 113.734 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.588 HG13 HD13 ' B' ' 37' ' ' LEU . 76.7 t -61.32 -34.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.054 0.454 . . . . 0.0 110.398 177.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' B' ' 76' ' ' ASP . 33.5 t -71.21 -46.69 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.055 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.467 HG22 ' HA ' ' B' ' 79' ' ' PRO . 9.6 tp -68.7 -38.73 79.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 110.371 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.87 88.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.405 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.533 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 21.9 ptmt -67.6 -27.87 67.28 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.04 -36.4 72.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.3 mt -70.67 -44.84 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.085 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -76.17 -8.49 57.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.799 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -67.72 107.59 2.63 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.318 -0.785 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.311 -176.806 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' HB ' ' A' ' 23' ' ' THR . 73.8 mt . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.01 -172.08 2.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.803 0.335 . . . . 0.0 110.7 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' B' ' 27' ' ' ALA . 66.1 m-85 -75.55 174.71 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.43 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 48.2 tt0 73.6 -52.6 0.7 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.969 0.793 . . . . 0.0 110.455 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.66 67.3 0.33 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' B' ' 22' ' ' MET . 65.5 mtp -86.03 -168.83 2.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.096 0.474 . . . . 0.0 110.561 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.504 ' HB ' HD12 ' A' ' 17' ' ' LEU . 12.6 t -152.37 -173.74 4.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.7 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.34 -52.57 25.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -75.5 -8.29 56.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.294 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -31.38 71.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.097 0.475 . . . . 0.0 110.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.04 -31.1 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.342 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.529 ' HG3' HH21 ' A' ' 31' ' ' ARG . 38.4 tt0 -75.07 -34.9 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.67 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 1.2 m-20 -60.6 -42.79 97.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.651 0.262 . . . . 0.0 110.738 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 HD13 ' A' ' 86' ' ' ILE . 16.7 t -74.6 -31.19 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.242 0.544 . . . . 0.0 109.895 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 52.3 ttp180 -63.02 -30.91 71.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.439 176.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.527 ' NZ ' ' HA ' ' A' ' 29' ' ' ASP . 28.5 mtmm -57.91 -47.93 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.759 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 30' ' ' VAL . 37.5 pt -68.15 -35.55 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.841 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -66.21 -47.15 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.713 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.9 m -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -66.3 -45.66 79.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.617 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.3 pp -70.51 -28.61 65.09 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.909 -175.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.2 mm? -69.62 -34.58 74.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 110.26 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.7 ' HG3' HG22 ' A' ' 40' ' ' THR . 48.3 tptt -71.51 -57.13 4.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.035 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.7 HG22 ' HG3' ' A' ' 39' ' ' LYS . 2.3 t -162.08 83.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.892 0.853 . . . . 0.0 112.664 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . -115.52 5.61 14.47 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.387 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.458 HG12 ' HB3' ' A' ' 56' ' ' CYS . 39.8 mt -106.83 130.92 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.779 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.0 155.73 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.378 . . . . 0.0 110.346 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.5 pp -98.13 132.08 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.338 0.59 . . . . 0.0 111.185 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.467 174.2 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.61 0.243 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HB2' HG22 ' A' ' 44' ' ' ILE . 8.4 t30 -109.24 106.34 16.15 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 62' ' ' SER . 23.1 pt20 -139.56 132.65 29.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.921 -173.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' HG12 ' A' ' 42' ' ' ILE . 7.4 p -84.93 117.89 24.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.155 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -78.43 -14.29 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.002 0.43 . . . . 0.0 110.742 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.582 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 10.3 tp -82.08 8.57 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.7 t -148.19 -32.85 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.25 2.22 62.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.034 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 130.0 34.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 55' ' ' GLN . 28.4 m -108.33 124.16 49.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.477 . . . . 0.0 110.749 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.773 HG12 ' H ' ' A' ' 65' ' ' TRP . 94.4 t -103.54 132.34 21.17 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.857 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 63' ' ' VAL . 20.6 Cg_exo -67.2 -4.04 10.94 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.207 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.773 ' H ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER 72.45 -37.56 0.39 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.918 0.887 . . . . 0.0 112.539 174.197 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.26 2.16 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.85 171.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' HB3' ' HG2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -136.24 151.85 50.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -50.03 -33.08 17.03 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.737 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -178.841 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.5 129.73 41.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -80.79 -14.84 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.728 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.09 -38.61 79.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.191 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.3 m -80.73 153.38 73.02 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.949 -174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.767 ' HB2' HG23 ' B' ' 33' ' ' ILE . 40.1 Cg_endo -67.87 10.11 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.882 2.388 . . . . 0.0 112.619 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.13 -29.85 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.537 . . . . 0.0 109.676 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 14.2 m -54.65 -37.68 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.149 174.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.7 mm -70.19 -47.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.228 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -55.11 -41.7 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.793 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 11.3 ptmm? -67.68 -29.44 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.055 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 81' ' ' VAL . 6.1 mm-40 -76.37 -34.51 58.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.916 0.388 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 82' ' ' ILE . 37.7 mt -63.03 -41.0 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.966 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 64.5 tp -60.72 -30.45 69.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.4 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -84.27 46.19 1.19 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.858 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -60.55 116.45 4.35 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 . . . . . 0 N--CA 1.467 0.388 0 O-C-N 123.746 0.654 . . . . 0.0 109.866 -177.048 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 p90 . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.526 ' HA ' ' HG2' ' B' ' 22' ' ' MET . 90.0 m-85 -78.22 -170.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.559 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 19.5 tm0? 78.09 -27.59 0.17 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.961 0.788 . . . . 0.0 110.329 -176.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' B' ' 19' ' ' PHE . . . -123.28 26.33 6.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.815 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' B' ' 19' ' ' PHE . 18.2 mmt -91.83 140.11 30.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.069 0.461 . . . . 0.0 110.939 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.0 m -123.92 -59.93 1.47 Allowed 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.758 -171.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -105.24 -83.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -167.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 -10.06 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -164.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.47 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.687 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.526 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -61.88 -29.62 70.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.72 -36.81 19.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.59 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.21 -41.93 99.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.972 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 33' ' ' ILE . 64.5 t -69.03 -41.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.74 0.305 . . . . 0.0 111.454 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -69.95 -27.39 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.134 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -56.62 -55.86 28.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.767 HG23 ' HB2' ' A' ' 79' ' ' PRO . 1.3 pt -66.06 -42.21 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.072 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.97 74.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.379 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.7 m -64.68 -41.24 96.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -61.36 -43.4 98.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.68 -177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.72 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 3.4 pp -73.87 -24.92 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.66 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' B' ' 37' ' ' LEU . 1.8 mm? -79.1 -42.41 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.343 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.642 ' HG3' HG22 ' B' ' 40' ' ' THR . 19.8 ptmt -80.84 -44.52 18.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -167.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.642 HG22 ' HG3' ' B' ' 39' ' ' LYS . 13.6 t -156.1 13.95 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.152 -170.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.72 ' CB ' ' HA ' ' B' ' 37' ' ' LEU . . . -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.139 0.495 . . . . 0.0 110.696 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.672 HD13 ' HA ' ' B' ' 56' ' ' CYS . 8.4 mt -88.65 -122.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.876 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -158.71 149.79 20.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.5 0.667 . . . . 0.0 110.871 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 21.3 mm -87.77 126.84 41.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.737 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.88 106.89 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 170.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.573 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 16.9 p -95.23 141.94 28.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.375 -174.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 49' ' ' ASP . 39.8 mt-10 -76.87 98.58 4.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.693 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.41 -78.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.145 0.903 . . . . 0.0 111.693 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' B' ' 47' ' ' GLU . 20.9 t70 -142.99 -28.93 0.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.609 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -78.4 0.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.155 -0.545 . . . . 0.0 114.226 -170.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.75 165.71 28.52 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.855 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -135.39 133.37 38.63 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.654 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -121.41 132.75 54.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.697 0.284 . . . . 0.0 110.823 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.469 ' HB3' HG13 ' B' ' 63' ' ' VAL . 43.3 t30 -96.26 113.23 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -106.59 114.9 29.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.672 ' HA ' HD13 ' B' ' 42' ' ' ILE . 49.0 t -80.29 107.86 13.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.571 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.1 OUTLIER -68.54 -11.28 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 179.398 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -88.08 0.94 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.501 -173.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' CYS . . . . . 0.498 ' HA ' ' SG ' ' B' ' 78' ' ' CYS . 20.9 p -159.7 -31.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.31 18.05 25.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.963 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.9 163.91 12.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.558 0.218 . . . . 0.0 110.861 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' B' ' 54' ' ' ASN . 7.5 p -135.83 135.98 22.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.907 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.49 150.16 61.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.728 2.285 . . . . 0.0 112.441 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.486 ' HE3' ' H ' ' B' ' 65' ' ' TRP . 3.4 p90 -57.27 -18.13 15.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.87 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.03 -23.17 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.72 0.295 . . . . 0.0 111.413 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.99 170.3 9.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.415 HG23 ' H ' ' B' ' 69' ' ' GLY . 0.6 OUTLIER -113.54 -68.86 0.9 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -172.341 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.415 ' H ' HG23 ' B' ' 68' ' ' THR . . . . . . . . 0 C--N 1.334 0.45 0 C-N-CA 119.033 -1.556 . . . . 0.0 114.862 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -76.7 142.72 40.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.097 0.475 . . . . 0.0 111.972 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.73 -19.8 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.913 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.07 -21.11 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.042 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.523 ' O ' HG22 ' B' ' 81' ' ' VAL . 57.3 m -87.49 127.68 57.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.635 -175.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 27.1 Cg_exo -64.03 -3.79 6.53 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.179 2.586 . . . . 0.0 113.243 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.02 -38.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 78' ' ' CYS . 18.5 m -62.08 -37.42 78.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.999 0.428 . . . . 0.0 111.06 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.473 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.2 mm -66.98 -51.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 33' ' ' ILE . . . -57.67 -45.66 85.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.086 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.26 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.47 -37.05 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.596 0.236 . . . . 0.0 110.948 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.7 mt -61.58 -43.63 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.924 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -76.5 -13.19 60.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.622 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -82.28 56.0 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.362 0.601 . . . . 0.0 110.454 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.09 179.217 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.723 ' HB2' ' H ' ' A' ' 22' ' ' MET . 5.6 mp . . . . . 0 C--O 1.234 0.244 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' A' ' 22' ' ' MET . 55.1 t80 64.85 171.54 0.2 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.262 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HE2' HD13 ' B' ' 86' ' ' ILE . 80.5 m-85 -78.49 27.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.03 -0.419 . . . . 0.0 112.067 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.746 ' HG3' ' HA ' ' B' ' 23' ' ' THR . 24.2 tt0 -121.13 12.61 11.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -108.72 0.27 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.465 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.723 ' H ' ' HB2' ' A' ' 17' ' ' LEU . 20.9 mmt 68.47 131.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.807 0.813 . . . . 0.0 111.847 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -71.87 0.35 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.196 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -139.78 -10.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.841 0.829 . . . . 0.0 108.975 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.487 ' HA ' ' CG ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -63.52 -12.77 34.96 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.729 -173.679 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.2 94.39 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.07 58.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 25' ' ' THR . 6.4 mm-40 -64.67 -50.11 68.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.414 -174.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 26.8 t70 -83.97 -40.27 18.69 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.65 -30.61 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.829 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.6 ttp-105 -56.7 -36.55 69.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 28.1 ttmt -61.07 -45.73 93.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.59 -41.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.287 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.18 -43.98 93.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.884 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.1 m -62.77 -31.7 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.92 18.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.052 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -64.11 -24.39 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -175.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.21 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.992 0.425 . . . . 0.0 110.749 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.1 -55.86 3.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.79 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 57' ' ' LYS . 11.6 p -99.07 50.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HB1' ' B' ' 41' ' ' ALA . . . -139.74 7.52 2.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.639 0.733 . . . . 0.0 109.482 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 55' ' ' GLN . 3.0 mp -115.63 136.82 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.128 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.27 143.2 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.22 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' A' ' 54' ' ' ASN . 17.5 pt -102.43 112.59 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.063 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.319 -0.745 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.149 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.093 0.473 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.478 ' HA ' HG22 ' A' ' 44' ' ' ILE . 42.8 t-20 -81.18 104.59 11.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.85 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 26.8 tt0 -128.12 123.56 34.78 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.431 ' HA ' HG13 ' A' ' 42' ' ' ILE . 3.9 p -65.04 119.42 10.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.297 170.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' B' ' 40' ' ' THR . 73.9 tttt -77.38 -6.94 55.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.45 -167.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.501 HD11 ' HB1' ' B' ' 36' ' ' ALA . 12.7 tp -75.73 -55.22 5.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.146 -176.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -102.63 -24.67 13.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.467 . . . . 0.0 110.995 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.47 61.76 1.61 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.3 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.66 40.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.85 ' HB3' ' HB2' ' A' ' 55' ' ' GLN . 59.4 p -122.53 162.64 21.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.372 0.606 . . . . 0.0 112.546 -173.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -133.43 142.98 46.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.348 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 127.07 23.07 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.896 2.398 . . . . 0.0 111.996 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -63.31 -28.79 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.062 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.02 17.4 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.682 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.558 ' HG2' HG22 ' A' ' 68' ' ' THR . 30.0 tt0 -87.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.558 HG22 ' HG2' ' A' ' 67' ' ' GLN . 8.3 t 176.75 -35.97 0.01 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.662 -178.631 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.654 0.264 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.6 150.97 23.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.23 -13.57 62.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.517 0.675 . . . . 0.0 110.251 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -82.69 -12.76 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.909 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.6 m -86.64 135.42 36.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.484 -176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.22 2.85 2.42 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.884 2.39 . . . . 0.0 112.399 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.33 -29.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.088 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.76 -51.07 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' ' 86' ' ' ILE . 6.3 tp -64.99 -44.15 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.473 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' HD13 ' B' ' 33' ' ' ILE . . . -55.55 -41.67 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.68 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 86.0 tttt -64.25 -36.97 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.274 0.559 . . . . 0.0 110.815 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -67.22 -37.59 83.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 82' ' ' ILE . 50.5 mm -62.65 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.829 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -70.0 -15.55 63.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.493 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 t -86.51 -37.85 17.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.507 ' OG ' ' HD3' ' A' ' 31' ' ' ARG . 32.8 m 65.0 17.38 11.06 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.12 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 120.567 0.222 . . . . 0.0 110.73 -178.758 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.561 0.219 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -142.59 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -72.92 70.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.512 0.508 . . . . 0.0 111.665 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.28 117.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.653 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.14 102.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.299 0.571 . . . . 0.0 110.703 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.785 HG23 ' H ' ' B' ' 25' ' ' THR . 13.0 t 174.63 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.987 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.24 -30.17 68.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 0.0 110.996 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.785 ' H ' HG23 ' B' ' 23' ' ' THR . 10.2 m -76.32 -33.94 59.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.575 -175.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.94 93.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.02 81.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.327 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' B' ' 31' ' ' ARG . 10.6 tp10 -61.49 -42.69 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.273 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.25 -53.75 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 111.066 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.45 -34.68 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 1.8 tmt_? -60.92 -42.06 97.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.376 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -57.1 -46.33 82.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.381 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 83' ' ' ALA . 32.9 mt -64.42 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.775 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -63.9 -39.26 93.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.478 -174.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.1 m -66.21 -32.62 74.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -71.96 -42.64 66.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.367 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.6 pp -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 110.826 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.99 -26.45 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.53 0.681 . . . . 0.0 109.95 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -90.65 -44.02 9.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.469 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.449 HG22 ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -133.14 31.1 3.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -168.516 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HB1' ' A' ' 41' ' ' ALA . . . -117.68 31.16 6.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.384 0.611 . . . . 0.0 110.748 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 47.2 mt -120.27 134.14 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.726 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -106.16 152.81 22.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 pt -110.47 111.24 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-O 121.103 0.478 . . . . 0.0 110.326 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 m -106.89 106.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.467 0.651 . . . . 0.0 110.464 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.756 ' HA ' ' H ' ' B' ' 52' ' ' ALA . 14.1 m -107.82 138.28 44.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.187 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.556 ' H ' ' HA3' ' B' ' 51' ' ' GLY . 56.4 mm-40 -75.24 158.4 32.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.792 0.329 . . . . 0.0 110.607 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.96 -36.61 72.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.887 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -89.45 -65.79 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.99 -86.09 0.55 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.704 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.556 ' HA3' ' H ' ' B' ' 47' ' ' GLU . . . 54.27 -121.84 21.39 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-O 121.467 0.482 . . . . 0.0 112.851 -175.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.756 ' H ' ' HA ' ' B' ' 46' ' ' SER . . . 77.57 84.05 0.08 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.473 -1.364 . . . . 0.0 111.422 177.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -129.08 120.15 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.384 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -95.93 107.41 19.67 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -140.55 146.16 37.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.327 0.584 . . . . 0.0 111.39 -172.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -84.72 145.67 27.81 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 40' ' ' THR . 74.0 mmtt -53.16 -38.33 62.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.084 0.468 . . . . 0.0 111.726 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.78 6.77 26.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 16.8 t 65.32 21.29 11.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.212 0.53 . . . . 0.0 110.664 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.77 92.92 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.474 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.17 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -137.02 124.72 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' HD2' ' B' ' 64' ' ' PRO . 13.5 p -151.92 143.24 15.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.421 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 10.1 Cg_endo -52.38 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.048 2.499 . . . . 0.0 113.376 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 57.66 -166.67 0.14 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.124 176.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.13 84.48 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.445 ' O ' ' HB ' ' B' ' 68' ' ' THR . 51.8 tt0 -155.02 107.99 2.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.421 -177.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' B' ' 67' ' ' GLN . 91.6 m 74.91 142.82 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.381 0.61 . . . . 0.0 111.606 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.941 178.281 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 27.2 p80 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.635 0.255 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.57 126.16 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.293 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.36 -25.44 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.25 0.548 . . . . 0.0 110.541 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.2 -17.2 60.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.737 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.528 ' SG ' HG22 ' B' ' 80' ' ' VAL . 15.9 t -74.89 130.0 82.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.813 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 25.7 Cg_exo -63.37 -13.29 35.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.314 2.676 . . . . 0.0 113.05 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.528 HG22 ' SG ' ' B' ' 78' ' ' CYS . 31.5 m -64.24 -29.4 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.316 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.07 -48.33 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 120.697 0.284 . . . . 0.0 111.41 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.505 ' O ' HG13 ' B' ' 86' ' ' ILE . 2.7 pp -74.9 -31.75 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.786 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.27 -53.07 62.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.653 0.263 . . . . 0.0 111.062 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.548 ' HA ' ' CD2' ' B' ' 87' ' ' LEU . 0.0 OUTLIER -63.55 -28.67 70.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.547 176.682 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -65.36 -40.8 94.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.716 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.546 HD13 ' HE2' ' A' ' 19' ' ' PHE . 91.1 mt -66.78 -45.69 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.315 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.548 ' CD2' ' HA ' ' B' ' 84' ' ' LYS . 3.0 pp -66.45 -24.97 66.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 t -75.59 -54.26 7.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.496 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.535 0.394 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.38 175.695 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -107.47 92.27 4.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.394 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CE1' HG21 ' B' ' 30' ' ' VAL . 56.3 m-85 68.14 -46.6 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.284 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.14 -35.43 71.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.27 0.557 . . . . 0.0 110.273 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.46 123.94 3.53 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.548 ' HB2' ' HB3' ' B' ' 19' ' ' PHE . 1.1 mmt -133.27 174.86 9.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.005 0.402 . . . . 0.0 110.698 -173.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -122.5 -178.03 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.84 -35.71 74.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.5 m -56.71 -28.52 61.09 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.715 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.515 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.442 ' HA ' ' CE2' ' B' ' 19' ' ' PHE . . . -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.685 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 36.1 tt0 -75.68 -46.46 31.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.26 -54.58 43.62 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.25 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.48 -37.99 81.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 87' ' ' LEU . 47.5 ttt180 -67.5 -43.78 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.709 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 27.3 mtpp -63.83 -42.69 97.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.821 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 77.8 mt -67.15 -51.37 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . . . -57.69 -35.76 71.05 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 112.078 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -72.67 -31.79 65.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.74 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -70.24 -32.36 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 40' ' ' THR . 13.4 mt -60.59 -39.4 87.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.8 -36.61 67.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.57 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -91.44 -15.63 28.58 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 37' ' ' LEU . 6.8 t -105.68 -22.44 12.96 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.33 -19.03 19.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.23 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.89 112.74 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 159.46 15.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.532 0.682 . . . . 0.0 111.768 -173.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.2 pp -111.61 124.27 68.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.645 169.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.313 -1.015 0 CA-C-O 121.462 0.649 . . . . 0.0 110.794 -176.325 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 62' ' ' SER . 22.1 t-20 -82.75 128.22 34.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -130.03 142.15 50.65 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.231 0.539 . . . . 0.0 111.185 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 15.7 p -116.54 88.81 2.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 3.0 ttmp? -55.42 -24.21 29.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.002 -174.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.4 -37.19 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 32.5 t -99.73 -38.06 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.5 9.4 41.15 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.419 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -92.21 159.43 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.657 0.265 . . . . 0.0 111.006 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 19.5 p -161.59 143.4 11.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.001 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 64' ' ' PRO . 1.6 p -149.98 156.69 38.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 63' ' ' VAL . 3.8 Cg_exo -42.1 128.15 4.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.883 2.389 . . . . 0.0 112.025 172.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -60.93 -23.54 65.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.569 -171.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 tp -93.03 35.03 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -157.45 131.69 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.2 m -67.22 -51.09 57.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 113.528 174.177 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.572 0.225 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 162.66 14.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.457 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.01 -32.04 73.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.384 0.611 . . . . 0.0 110.135 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.11 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.723 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 80' ' ' VAL . 72.1 m -80.79 122.13 81.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.886 0.374 . . . . 0.0 111.178 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 26.4 Cg_exo -63.87 -15.41 48.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.047 2.498 . . . . 0.0 112.389 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 78' ' ' CYS . 28.3 m -61.99 -30.05 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.39 -34.26 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 121.211 0.529 . . . . 0.0 109.916 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 86' ' ' ILE . 43.0 mm -70.18 -49.82 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.111 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' B' ' 33' ' ' ILE . . . -57.44 -41.94 81.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.95 -47.07 87.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.401 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.462 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.9 mt -60.71 -42.67 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.555 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.637 ' HB2' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -80.36 -6.39 57.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.81 0.338 . . . . 0.0 111.441 -176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.0 m -103.71 29.61 5.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.933 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -55.15 -39.57 69.61 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.65 0.738 . . . . 0.0 109.403 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 169.516 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.544 ' O ' ' HG2' ' B' ' 22' ' ' MET . 2.8 p90 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 22' ' ' MET . 49.4 m-85 -73.1 161.58 30.46 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.378 175.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.52 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 42.5 tp60 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.593 0.558 . . . . 0.0 111.472 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.03 50.71 1.18 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.115 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 13.4 mmt -111.82 162.24 15.48 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 111.375 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.404 HG22 ' H ' ' B' ' 24' ' ' ASP . 0.8 OUTLIER -104.75 171.94 7.06 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.278 177.611 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.404 ' H ' HG22 ' B' ' 23' ' ' THR . 1.8 m-20 -58.21 -25.07 61.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.224 0.535 . . . . 0.0 111.038 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -72.0 -13.14 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.732 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.46 -38.45 84.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.541 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -74.8 -39.46 61.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.481 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 13.7 t70 -72.94 -27.59 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.179 0.514 . . . . 0.0 110.144 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' A' ' 19' ' ' PHE . 88.5 t -72.49 -40.57 63.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.924 172.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 11.5 ttm-85 -60.64 -34.97 75.06 Favored 'General case' 0 N--CA 1.461 0.09 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.566 ' HB3' ' O ' ' B' ' 29' ' ' ASP . 16.8 tptm -52.11 -46.82 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.835 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 83' ' ' ALA . 39.2 mt -74.12 -45.58 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.509 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.86 -31.31 72.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.343 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.3 m -58.25 -30.58 66.67 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.4 71.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.397 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 18.8 mt -65.8 -41.79 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.39 -25.55 65.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.999 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -88.06 -54.08 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.0 88.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.226 1.013 . . . . 0.0 111.917 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -132.6 6.3 4.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.185 171.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -113.01 122.56 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.68 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 7.1 pt-20 -104.75 150.37 24.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.022 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 pt -99.52 114.89 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 121.351 0.596 . . . . 0.0 111.312 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -90.78 122.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.682 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -84.34 140.95 31.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.205 0.526 . . . . 0.0 110.737 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.408 ' OE1' ' HA3' ' B' ' 51' ' ' GLY . 39.8 mt-10 -80.91 135.77 35.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.315 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.15 -29.64 70.96 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 123.396 0.435 . . . . 0.0 110.532 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.66 -26.85 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.878 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.22 66.49 0.2 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.408 ' HA3' ' OE1' ' B' ' 47' ' ' GLU . . . -162.92 -159.79 10.71 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.11 145.33 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.133 0.492 . . . . 0.0 111.415 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.62 142.07 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.089 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' B' ' 62' ' ' SER . 17.6 m120 -82.05 129.88 34.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 53.2 tt0 -152.21 142.02 21.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.249 0.547 . . . . 0.0 111.721 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.64 125.17 48.25 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 166.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.21 -3.3 3.74 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.773 HD23 ' HD2' ' B' ' 79' ' ' PRO . 10.2 mp -83.11 -3.87 57.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.499 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 65.2 m 74.31 21.67 2.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.081 0.552 . . . . 0.0 111.038 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLY . . . . . 0.552 ' HA2' ' HB3' ' B' ' 75' ' ' ALA . . . -79.04 -46.22 8.43 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.13 144.7 24.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 10.5 t -157.93 134.56 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.625 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.46 HG11 ' HA2' ' B' ' 69' ' ' GLY . 14.6 p -156.21 145.55 15.19 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.328 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.77 147.75 1.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.989 2.459 . . . . 0.0 112.153 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.474 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 0.5 OUTLIER -80.09 164.61 23.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.888 -175.463 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 71.81 11.93 6.25 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.646 0.591 . . . . 0.0 110.605 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.65 164.23 16.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.7 m -70.69 105.1 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.933 0.396 . . . . 0.0 110.751 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.46 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.5 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.574 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' HA2' ' B' ' 60' ' ' GLY . . . -104.45 117.14 33.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.07 -16.62 61.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.512 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 69.6 m -85.95 125.42 68.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.741 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.773 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.2 Cg_exo -57.54 -28.12 79.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.188 2.592 . . . . 0.0 112.952 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.416 HG23 HD22 ' B' ' 58' ' ' LEU . 61.7 t -64.35 -39.2 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.615 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 67.9 t -68.44 -40.14 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -75.75 -35.23 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.09 99.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.719 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 21.8 pttp -64.73 -28.07 69.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.576 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -75.57 -30.44 59.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.482 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 82' ' ' ILE . 70.9 mt -60.76 -50.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.444 176.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.611 ' HB2' ' HG3' ' B' ' 31' ' ' ARG . 4.6 pp -68.95 -18.08 64.03 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.401 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.5 m -85.35 -55.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.287 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 CA--C 1.534 0.328 0 O-C-N 123.779 0.674 . . . . 0.0 111.472 179.051 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -97.07 169.92 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -72.72 88.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.244 0.545 . . . . 0.0 112.381 -172.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -139.99 -85.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.13 69.46 1.34 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.9 tpt -73.97 145.48 44.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.358 . . . . 0.0 110.655 -172.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.74 0.4 20.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.917 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' B' ' 19' ' ' PHE . 35.6 t70 74.41 -41.73 0.48 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.764 0.826 . . . . 0.0 112.119 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -57.91 -16.68 12.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.107 0.48 . . . . 0.0 111.476 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -57.45 -27.24 62.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.84 65.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.181 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 9.6 tp10 -61.14 -45.77 93.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.472 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 7.6 m-20 -77.7 -31.31 52.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 0.0 111.225 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 26' ' ' ALA . 67.9 t -69.25 -33.87 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 36.0 ptt180 -73.22 -27.94 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.816 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 93.5 mttt -58.28 -50.91 71.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.708 0.289 . . . . 0.0 110.465 174.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.61 HG22 ' HB2' ' B' ' 79' ' ' PRO . 40.0 pt -69.16 -29.69 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.544 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HB1' ' HB1' ' A' ' 83' ' ' ALA . . . -64.97 -32.7 74.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.582 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -76.49 -30.3 57.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.039 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.93 -26.55 68.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.338 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.46 -43.45 98.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.688 ' HA ' HG12 ' A' ' 42' ' ' ILE . 9.7 mp -70.25 -26.16 63.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.608 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.661 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -76.3 -18.68 58.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.754 ' HB ' ' HB1' ' B' ' 41' ' ' ALA . 21.0 p -117.36 -54.22 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 -20.14 54.72 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.897 0.38 . . . . 0.0 111.386 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.688 HG12 ' HA ' ' A' ' 38' ' ' LEU . 28.6 mm -93.43 105.98 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -133.02 135.81 45.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.747 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -89.98 122.38 41.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.016 -175.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.463 0.649 . . . . 0.0 109.353 173.236 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.645 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 60.1 t30 -82.68 106.92 14.93 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -110.65 137.11 48.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.679 0.752 . . . . 0.0 112.371 -170.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 7.6 p -98.3 132.52 43.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 168.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -85.92 -131.85 0.05 Allowed 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp 67.06 -61.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.252 0.621 . . . . 0.0 111.366 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.52 -14.25 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.175 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.83 70.77 1.34 Allowed Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.722 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.94 144.63 50.95 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -100.65 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.099 0.476 . . . . 0.0 111.587 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.9 t -132.36 139.64 35.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.045 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.62 128.55 26.49 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.67 2.247 . . . . 0.0 112.002 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -64.52 -41.39 96.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.372 -174.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.92 32.53 0.74 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 111.975 -173.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -142.41 149.14 38.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.3 t -66.28 -7.48 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.532 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -177.669 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.1 m80 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB3' ' SG ' ' A' ' 78' ' ' CYS . . . -68.52 147.57 51.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.725 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.17 -17.98 64.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.212 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -89.4 -1.6 58.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.58 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 95.7 m -83.5 124.7 75.3 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.289 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 31.1 Cg_exo -62.52 -17.44 58.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.127 2.552 . . . . 0.0 112.265 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.07 -31.02 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.993 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 54.7 t -63.04 -40.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.34 -45.81 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' HB1' ' HB1' ' A' ' 34' ' ' ALA . . . -58.49 -38.88 78.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.254 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -66.21 -38.92 89.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 79.4 mt-30 -58.38 -43.93 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.25 -49.45 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.536 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 4.4 pp -72.18 -16.05 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.432 -177.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.5 m -77.39 -37.63 51.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.656 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t 61.1 28.63 18.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.65 0.738 . . . . 0.0 109.73 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.415 -170.857 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 64.1 m-85 -84.65 7.55 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -72.61 -25.05 61.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.372 0.606 . . . . 0.0 110.168 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.2 118.66 0.66 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.1 mtt -117.47 179.52 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 0.0 111.289 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -125.11 -179.02 4.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.174 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.34 -46.35 87.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.808 -173.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 -16.68 64.51 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -61.59 -31.3 71.35 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.788 0.328 . . . . 0.0 111.344 -177.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.27 69.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.352 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.1 -40.14 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.24 -31.99 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.496 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 26' ' ' ALA . 62.1 t -62.24 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.224 0.535 . . . . 0.0 109.837 173.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.49 -40.23 95.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.315 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.1 -47.01 68.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.569 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.62 -38.65 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 111.627 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.56 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.454 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -74.69 -29.56 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.692 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.525 ' O ' HG22 ' B' ' 40' ' ' THR . . . -55.23 -41.35 71.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.133 0.492 . . . . 0.0 109.769 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.668 HD21 HG13 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -54.84 -51.81 64.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.883 174.473 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.517 ' HG ' HD12 ' B' ' 42' ' ' ILE . 8.0 tt -62.19 -31.01 71.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.219 0.533 . . . . 0.0 110.888 -176.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -85.05 -47.53 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.525 HG22 ' O ' ' B' ' 36' ' ' ALA . 11.0 t -107.27 -7.17 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -171.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.754 ' HB1' ' HB ' ' A' ' 40' ' ' THR . . . -110.59 -9.15 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.986 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.517 HD12 ' HG ' ' B' ' 38' ' ' LEU . 55.5 mt -103.65 140.74 20.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.506 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -115.86 138.13 51.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.558 -177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.94 128.48 61.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.598 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' B' ' 53' ' ' HIS . 6.8 m -100.81 105.99 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.6 p -108.76 139.72 43.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.096 -172.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.7 170.88 15.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.436 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.18 -71.78 0.11 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.441 0.639 . . . . 0.0 111.05 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -115.3 -2.71 12.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.352 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.37 -124.28 0.81 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.399 -177.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.62 -149.98 13.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.786 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -145.46 145.61 31.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.602 ' HB2' HG23 ' B' ' 45' ' ' VAL . 55.9 m-70 -119.66 110.75 17.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.285 0.564 . . . . 0.0 110.419 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.54 ' O ' ' HA ' ' B' ' 62' ' ' SER . 35.9 t30 -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.695 ' HG2' ' HB3' ' B' ' 62' ' ' SER . 42.8 mt-30 -102.75 117.37 34.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.7 112.48 6.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 57' ' ' LYS . 3.2 tmmm? -82.97 72.29 10.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -170.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 40' ' ' THR . 9.4 tp -178.99 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.886 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.9 t -94.91 -15.62 23.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.22 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.94 30.92 62.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.21 135.97 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.695 ' HB3' ' HG2' ' B' ' 55' ' ' GLN . 38.9 p -125.76 146.35 49.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.481 . . . . 0.0 111.467 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -130.86 143.49 49.59 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.952 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' B' ' 65' ' ' TRP . 36.7 Cg_exo -62.75 5.28 0.28 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.184 2.59 . . . . 0.0 113.84 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' B' ' 64' ' ' PRO . 56.4 t-105 75.73 -52.63 0.63 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.507 0.723 . . . . 0.0 112.54 172.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' B' ' 66' ' ' LEU . 3.9 mm? -57.46 -39.18 75.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.61 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -178.95 148.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.711 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.582 175.662 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 74' ' ' HIS . . . . . 0.483 ' CD2' HG11 ' B' ' 81' ' ' VAL . 7.5 p-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.3 124.58 28.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 165.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -80.21 1.87 26.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.502 0.668 . . . . 0.0 111.137 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.52 1.33 53.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.818 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.06 123.65 56.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.61 ' HB2' HG22 ' A' ' 33' ' ' ILE . 19.2 Cg_endo -60.43 -30.13 90.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.034 2.489 . . . . 0.0 112.414 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.668 HG13 HD21 ' B' ' 37' ' ' LEU . 60.1 t -59.69 -30.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 110.682 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' B' ' 74' ' ' HIS . 89.4 t -72.83 -51.39 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.02 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.46 ' O ' HG13 ' B' ' 86' ' ' ILE . 1.3 pp -65.17 -32.17 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.2 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.429 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 99.1 mttt -64.03 -38.27 90.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.174 0.512 . . . . 0.0 110.275 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.92 -34.47 77.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.28 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.8 mt -75.37 -42.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.4 pp -76.48 5.56 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -173.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.6 t -67.36 175.55 2.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.498 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -174.072 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.217 0.532 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -99.54 23.62 9.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 122.087 0.946 . . . . 0.0 109.73 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' HB3' ' B' ' 26' ' ' ALA . 89.5 m-85 -79.84 19.26 0.7 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.594 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -71.66 -46.89 57.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.96 144.59 12.8 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.3 mmt -117.77 -179.44 3.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.072 0.436 . . . . 0.0 110.858 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -157.99 -167.74 2.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -44.51 -63.33 0.92 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.192 0.997 . . . . 0.0 113.256 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -70.47 -23.14 62.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.717 -171.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.53 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.952 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -51.25 61.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.361 -177.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.4 -35.43 79.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.657 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 26' ' ' ALA . 95.8 t -64.52 -46.04 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.037 0.446 . . . . 0.0 110.307 175.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.77 -36.96 77.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.186 0.517 . . . . 0.0 110.089 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HB2' ' HZ2' ' A' ' 32' ' ' LYS . 4.5 ttmp? -62.37 -55.4 28.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.18 -35.06 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.54 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.37 93.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.016 0.436 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -69.13 -36.37 77.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.15 -50.82 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.276 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD22 ' O ' ' B' ' 33' ' ' ILE . 4.2 pp -64.72 -32.83 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.04 -48.83 69.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -69.18 -17.93 63.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.87 -177.014 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.411 HG22 ' O ' ' B' ' 41' ' ' ALA . 5.8 m -96.56 -29.34 13.93 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.034 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 -18.58 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.81 100.14 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.986 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -143.57 152.07 40.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.298 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.3 pt -87.92 121.32 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.387 0.613 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.997 178.267 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 51.7 t-20 -90.84 106.48 18.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -122.91 119.74 31.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.419 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.3 p -70.94 119.83 15.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.305 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' B' ' 40' ' ' THR . 20.5 mtpp -77.59 4.39 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.515 HD23 HG23 ' A' ' 80' ' ' VAL . 12.3 tp -106.05 -10.62 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.4 m -145.59 -32.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.152 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -6.61 35.14 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.388 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.84 147.29 37.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.615 0.245 . . . . 0.0 110.676 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.2 m -114.13 147.87 38.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.591 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 10.0 p -137.76 154.18 74.51 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.591 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 65.3 Cg_exo -38.53 128.04 1.12 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.78 2.32 . . . . 0.0 112.638 170.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.654 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 5.0 p90 -65.7 163.89 15.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.133 -175.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 66' ' ' LEU . 1.9 tm? 76.6 -34.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.335 0.654 . . . . 0.0 111.297 174.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' A' ' 68' ' ' THR . 4.9 tt0 -77.4 173.69 11.66 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.732 0.301 . . . . 0.0 111.218 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.4 ' H ' ' HG2' ' A' ' 67' ' ' GLN . 12.4 t -71.98 -17.74 62.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.95 -178.032 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.382 0.611 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 78' ' ' CYS . . . -70.29 151.7 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.283 170.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.4 -43.08 99.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.995 0.426 . . . . 0.0 111.59 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -104.38 15.62 27.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.502 -174.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.0 t -54.66 124.6 50.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.011 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.561 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . 52.4 Cg_exo -54.52 -31.63 70.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.34 2.693 . . . . 0.0 113.296 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG23 HD23 ' A' ' 58' ' ' LEU . 85.0 t -59.71 -40.09 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.11 0.481 . . . . 0.0 110.549 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 t -67.97 -41.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.179 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.93 -48.35 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.76 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.723 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.05 -40.04 94.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.441 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -61.92 -45.56 93.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.41 -46.38 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.14 -14.43 61.82 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.678 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 m -90.53 -29.3 17.96 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.366 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p 59.57 164.54 0.05 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 112.593 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 . . . . . 0 N--CA 1.468 0.426 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.5 178.792 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.102 0.477 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -58.96 -29.07 66.89 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.73 -15.44 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.715 0.293 . . . . 0.0 111.624 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.92 -64.34 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.507 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.671 ' SD ' ' HB2' ' B' ' 26' ' ' ALA . 18.3 mmt 69.1 160.32 0.19 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.689 0.796 . . . . 0.0 112.36 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' B' ' 24' ' ' ASP . 12.2 t -158.29 39.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.945 0.878 . . . . 0.0 110.072 -174.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 23' ' ' THR . 21.4 t70 79.35 -33.93 0.15 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.27 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -56.92 -17.94 11.49 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.671 ' HB2' ' SD ' ' B' ' 22' ' ' MET . . . -56.75 -35.56 68.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.432 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.89 68.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.472 . . . . 0.0 110.643 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -49.81 11.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.788 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 26.2 m-20 -62.49 -39.76 94.52 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.17 -41.59 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.428 . . . . 0.0 110.406 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -37.74 86.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 0.0 110.025 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 35.6 ttmt -57.5 -55.51 33.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.329 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 79' ' ' PRO . 36.5 pt -69.18 -32.88 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.37 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -65.91 -44.56 84.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -58.57 -29.03 66.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.535 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -43.46 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.062 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.5 pp -77.37 -24.56 50.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 0.0 110.809 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.9 -32.43 65.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.569 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.38 -58.07 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.464 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 3.3 t -176.18 85.51 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.065 0.936 . . . . 0.0 110.946 177.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.679 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.48 -27.95 14.2 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.181 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.2 mt -87.54 155.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.54 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.1 146.4 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.79 -174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.587 HG23 ' HB1' ' B' ' 52' ' ' ALA . 9.2 mm -98.75 117.4 43.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.013 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 53' ' ' HIS . 17.5 m -99.41 120.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.4 m -95.31 141.37 28.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.257 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.44 160.6 14.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.612 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.73 -40.68 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.594 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -57.15 -51.8 67.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.128 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.65 70.37 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.771 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.36 -175.04 47.14 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.587 ' HB1' HG23 ' B' ' 44' ' ' ILE . . . -151.12 171.29 17.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.581 0.229 . . . . 0.0 110.546 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.437 ' HB2' HG23 ' B' ' 45' ' ' VAL . 90.5 m-70 -137.47 137.11 38.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.431 ' HB3' HG13 ' B' ' 63' ' ' VAL . 61.0 t30 -117.86 105.29 11.79 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -114.17 127.41 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 111.705 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.5 t -86.3 112.87 21.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.893 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.4 OUTLIER -75.57 -21.15 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.356 . . . . 0.0 111.047 -170.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -84.54 -21.54 30.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -111.54 -30.11 7.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.36 6.95 73.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.615 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.32 138.81 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.643 0.258 . . . . 0.0 110.438 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -127.53 133.6 49.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' B' ' 67' ' ' GLN . 4.7 p -129.24 122.08 20.88 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.02 92.85 0.72 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.245 1.963 . . . . 0.0 113.56 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 15.9 t90 51.82 -93.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.751 171.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.69 94.64 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.535 0.683 . . . . 0.0 110.84 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.489 ' HB3' ' CG2' ' B' ' 63' ' ' VAL . 44.8 tp60 -141.41 168.22 20.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.392 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -47.67 78.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.68 0.276 . . . . 0.0 111.381 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.434 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.085 170.688 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 p80 . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.88 117.0 29.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.754 175.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.539 ' HA ' HG21 ' B' ' 81' ' ' VAL . 74.8 m-20 -80.77 -7.54 59.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.769 -172.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.2 -1.34 32.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 70.7 m -90.65 136.04 28.46 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.96 -21.09 56.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.196 2.597 . . . . 0.0 112.765 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.06 -30.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.539 HG21 ' HA ' ' B' ' 76' ' ' ASP . 60.3 t -73.29 -34.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 109.914 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 86' ' ' ILE . 41.1 mm -57.86 -47.35 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.872 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.71 78.06 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.104 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.47 -38.78 81.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.325 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.54 -34.04 60.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 82' ' ' ILE . 71.4 mt -65.67 -44.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.62 -1.67 32.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.201 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -96.11 19.44 11.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.468 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.166 0.508 . . . . 0.0 111.398 -179.093 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.213 0.53 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -81.12 179.22 7.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.102 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 97.5 m-85 -54.2 152.09 6.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 61.4 tt0 76.02 6.78 3.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.034 0.834 . . . . 0.0 110.071 -175.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.58 64.87 0.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.786 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -106.9 129.85 54.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 -178.057 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -103.89 -68.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.101 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -161.96 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -59.85 -22.58 62.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.38 -20.72 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.233 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.448 ' HA ' ' CZ ' ' B' ' 19' ' ' PHE . . . -72.79 -29.2 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.066 0.46 . . . . 0.0 110.485 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -71.23 -33.28 69.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.917 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' B' ' 86' ' ' ILE . 22.1 t70 -73.52 -53.62 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.392 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG21 ' HZ ' ' B' ' 19' ' ' PHE . 35.2 m -67.46 -32.99 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.754 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.738 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.1 ttp180 -68.35 -30.17 69.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.258 0.551 . . . . 0.0 109.87 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB2' ' HE2' ' A' ' 32' ' ' LYS . 21.0 ttmm -69.6 -50.4 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.614 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.518 HD13 HD12 ' B' ' 86' ' ' ILE . 31.0 pt -65.73 -33.55 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.729 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.73 82.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.241 0.543 . . . . 0.0 110.724 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -74.76 -38.99 62.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.9 94.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.925 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HA ' HG22 ' A' ' 40' ' ' THR . 4.6 pp -66.74 -24.9 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.49 -31.95 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.692 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.0 -16.87 39.38 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.372 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.0 t -97.54 -17.0 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.566 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.21 -14.54 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.767 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.2 mm -112.94 91.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.916 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.82 152.36 49.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.417 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 12.6 tt -126.95 122.27 59.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.643 0.735 . . . . 0.0 111.598 -174.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 53' ' ' HIS . 2.5 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.006 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' HB2' HG23 ' A' ' 45' ' ' VAL . 78.7 m-70 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.521 0.2 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.621 ' H ' ' CG2' ' A' ' 63' ' ' VAL . 6.8 t30 -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -107.22 113.64 27.19 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.45 0.643 . . . . 0.0 110.983 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.898 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 43.1 t -99.79 89.09 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.23 23.85 9.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.498 -171.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -74.24 -48.75 26.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.9 p -115.04 -53.08 2.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.104 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.12 69.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.391 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.898 ' HB3' ' HB3' ' A' ' 56' ' ' CYS . . . -117.7 159.04 23.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.591 0.234 . . . . 0.0 110.584 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -100.31 -169.95 1.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 111.429 -174.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.621 ' CG2' ' H ' ' A' ' 54' ' ' ASN . 1.5 p -96.13 119.54 64.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.152 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -88.24 6.4 4.89 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.271 2.647 . . . . 0.0 113.068 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.428 ' H ' HG22 ' A' ' 63' ' ' VAL . 33.0 t-105 -75.18 -151.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.57 65.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.408 0.623 . . . . 0.0 110.819 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -164.76 150.03 9.82 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -74.82 81.98 2.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.771 176.096 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 35.3 m80 . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.06 -0.019 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . 77.04 132.24 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.328 1.017 . . . . 0.0 110.331 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.11 -20.9 55.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.1 14.56 23.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.35 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.555 ' SG ' HG22 ' A' ' 80' ' ' VAL . 32.1 p -66.93 158.72 79.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.81 -26.36 15.88 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.945 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG22 ' SG ' ' A' ' 78' ' ' CYS . 29.7 m -67.82 -30.57 48.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG13 ' SG ' ' A' ' 78' ' ' CYS . 15.8 m -64.51 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.775 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' ' 86' ' ' ILE . 51.9 mm -68.41 -44.87 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.064 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.23 87.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.95 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -63.59 -37.48 87.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.477 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.01 -37.78 84.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 82' ' ' ILE . 71.5 mt -70.54 -42.13 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.498 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.738 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -73.84 -17.37 61.07 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -78.72 -32.71 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.387 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 48.7 m 62.63 -174.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.375 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 89' ' ' SER . 68.5 mtp180 . . . . . 0 N--CA 1.466 0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.358 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--O 1.235 0.327 0 CA-C-O 122.148 0.975 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 27' ' ' ALA . 97.3 m-85 69.35 178.98 0.25 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.135 -176.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.66 -62.67 0.18 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.278 0.631 . . . . 0.0 109.958 -166.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.4 87.39 0.61 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 tpt -134.23 125.6 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 11.8 t -123.98 -171.18 2.27 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.84 -54.42 15.3 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.708 1.203 . . . . 0.0 114.027 -173.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.41 -1.39 10.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.36 -23.21 40.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.224 0.535 . . . . 0.0 109.933 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.89 -26.63 66.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.569 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -51.82 -53.04 44.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.3 -44.43 52.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.855 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.79 -42.42 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.558 ' HG2' ' HA ' ' B' ' 87' ' ' LEU . 82.3 mtp180 -68.76 -30.27 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.076 -0.39 . . . . 0.0 110.789 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -65.47 -46.59 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.017 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.4 pt -65.96 -32.82 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.33 -32.91 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.219 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -73.81 -30.48 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 0.0 110.813 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.33 86.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.882 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.99 -25.14 65.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 111.33 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' B' ' 84' ' ' LYS . 6.7 tt -77.75 -31.49 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.256 0.551 . . . . 0.0 109.546 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -76.93 -51.8 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.5 t -154.96 82.03 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.016 0.912 . . . . 0.0 112.015 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.1 17.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.52 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.425 HG22 ' OD1' ' B' ' 54' ' ' ASN . 39.9 mt -123.96 126.45 72.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.419 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -106.64 166.97 10.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.279 0.561 . . . . 0.0 111.784 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.525 ' O ' HD12 ' B' ' 44' ' ' ILE . 1.8 pp -111.63 134.78 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.697 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 m -104.8 121.37 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.262 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 5.0 m -102.52 124.24 47.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.05 0.452 . . . . 0.0 111.842 -172.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.83 133.46 44.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.883 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.6 -40.37 78.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.095 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -116.2 116.32 27.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.431 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -63.77 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.091 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.78 175.1 14.06 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -91.72 127.12 37.06 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.823 0.344 . . . . 0.0 110.086 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.565 ' HB3' ' HB2' ' B' ' 62' ' ' SER . 87.2 m-70 -107.53 126.14 52.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.834 -176.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.425 ' OD1' HG22 ' B' ' 42' ' ' ILE . 5.7 t-20 -87.09 105.95 17.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 174.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.74 120.02 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 112.143 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.5 t -74.74 108.64 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.794 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 40' ' ' THR . 59.4 tptt -60.8 -35.17 75.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.937 -175.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.486 HD13 ' HG2' ' B' ' 79' ' ' PRO . 95.3 mt -96.38 8.32 44.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.4 t -134.5 -27.08 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.58 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.66 48.7 7.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.369 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.8 138.79 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' B' ' 53' ' ' HIS . 2.2 p -113.53 137.98 50.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.025 0.441 . . . . 0.0 111.598 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.64 144.92 45.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.287 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -42.81 140.98 2.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.253 2.635 . . . . 0.0 112.889 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 13.4 p-90 -65.28 174.67 1.98 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp 80.36 -31.05 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.815 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -92.84 173.86 7.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.713 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.5 m -84.43 137.55 33.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.694 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.464 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.241 -177.584 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 120.954 0.407 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 147.24 42.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.662 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.0 -13.35 60.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.78 0.8 . . . . 0.0 108.986 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.17 -5.66 58.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.543 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.494 ' SG ' HG23 ' B' ' 81' ' ' VAL . 16.3 p -92.54 144.19 28.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 -174.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.486 ' HG2' HD13 ' B' ' 58' ' ' LEU . 21.1 Cg_endo -62.95 -16.93 57.35 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.03 2.487 . . . . 0.0 112.818 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' B' ' 58' ' ' LEU . 60.5 t -58.94 -46.5 91.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.19 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.494 HG23 ' SG ' ' B' ' 78' ' ' CYS . 94.9 t -65.16 -40.63 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.3 mm -59.04 -50.32 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.243 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.37 -51.88 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.649 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 56.3 pttt -71.07 -26.74 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 111.447 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' B' ' 82' ' ' ILE . 27.4 tt0 -61.0 -39.8 91.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.56 173.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.518 HD12 HD13 ' A' ' 33' ' ' ILE . 77.6 mt -74.99 -43.3 45.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.671 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.649 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -67.06 -16.46 64.36 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.849 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.1 m -85.78 96.32 9.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.047 -175.673 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.936 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG3' ' NH1' ' A' ' 31' ' ' ARG . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 1.119 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.731 HG23 HG23 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.673 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 23.8 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.673 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 61' ' ' ALA . 11.5 t-160 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HA ' HG21 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.635 HG12 ' HB2' ' B' ' 29' ' ' ASP . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.119 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 52.3 mtt180 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.512 ' HG2' ' HB2' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.936 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.635 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.435 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.802 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.497 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.123 0.487 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.537 ' HB2' HG23 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG22 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.587 HG13 HD13 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.513 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.592 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -169.6 173.25 6.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.092 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.33 71.78 3.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.911 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.463 ' HA ' HG23 ' B' ' 23' ' ' THR . 39.5 mt-30 -123.91 -5.4 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.251 0.548 . . . . 0.0 109.716 168.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.58 84.2 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.7 mmt -73.08 137.32 45.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.279 0.561 . . . . 0.0 112.113 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -78.53 169.64 17.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.0 -32.75 74.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.986 0.422 . . . . 0.0 111.015 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -61.62 -28.48 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.672 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -30.17 68.37 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.135 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -68.64 -28.24 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -79.89 -39.93 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.77 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -64.88 -49.98 68.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.27 -31.78 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.128 0.489 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 24.9 ttt85 -61.27 -36.4 79.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.57 -37.99 65.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.869 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.29 -44.63 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.676 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -61.34 -32.07 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.341 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.8 m -67.13 -32.75 74.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.461 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 4.5 pp -65.25 -24.94 67.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.58 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.615 HD11 HD22 ' A' ' 87' ' ' LEU . 87.2 mt -64.75 -34.53 78.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.093 0.473 . . . . 0.0 110.589 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -93.03 -54.87 3.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 p -88.87 -21.75 23.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -78.04 -12.61 60.0 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.601 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.3 mm -77.49 104.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.49 144.49 34.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.1 0.476 . . . . 0.0 111.241 -171.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 54' ' ' ASN . 42.6 mm -101.64 112.65 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.276 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.603 HG23 ' HB2' ' A' ' 53' ' ' HIS . 7.7 m . . . . . 0 C--N 1.315 -0.893 0 CA-C-O 121.683 0.754 . . . . 0.0 109.084 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.603 ' HB2' HG23 ' A' ' 45' ' ' VAL . 77.3 m-70 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.467 0.175 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.614 ' HA ' HD13 ' A' ' 44' ' ' ILE . 48.4 t-20 -82.89 114.64 21.33 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -130.37 124.66 32.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.338 0.59 . . . . 0.0 112.188 -171.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.2 m -83.63 103.21 12.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -80.17 7.68 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 0.0 110.906 -173.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.507 HD23 HG22 ' A' ' 80' ' ' VAL . 10.9 tp -105.99 14.37 28.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.5 t -149.46 -41.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.264 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.89 -9.62 31.95 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.258 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.94 138.75 39.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.968 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 p -142.87 153.23 42.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.156 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.415 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 11.3 p -151.98 146.49 18.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 51.8 Cg_exo -40.05 126.56 1.9 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.925 2.417 . . . . 0.0 112.202 170.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -63.95 -24.58 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.645 -172.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.1 tp -92.81 13.87 19.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.608 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -148.58 -87.59 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.23 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.504 ' H ' HG23 ' A' ' 68' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.714 -176.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.83 40.4 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 169.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -75.63 -4.66 41.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.009 0.433 . . . . 0.0 111.408 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.18 -13.28 53.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.956 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 p -77.56 150.17 79.03 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.758 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.683 ' HB2' HG22 ' B' ' 33' ' ' ILE . 48.8 Cg_endo -68.92 -3.75 12.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.943 2.429 . . . . 0.0 113.306 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG22 HD23 ' A' ' 58' ' ' LEU . 48.4 t -63.02 -33.72 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.12 0.486 . . . . 0.0 110.4 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 43.6 t -61.62 -47.25 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.472 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.33 -41.24 91.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.401 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.81 93.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -61.0 -38.8 87.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.323 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 96.4 mt-30 -60.08 -45.56 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.757 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.3 -52.21 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.278 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 HD11 ' A' ' 38' ' ' LEU . 4.2 pp -70.06 -18.82 63.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.437 -176.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -83.07 -41.4 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m 61.45 24.03 14.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.709 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.72 -176.37 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' B' ' 22' ' ' MET . 63.4 t80 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 120.534 0.207 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.1 149.88 14.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 111.734 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 61.87 89.4 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.273 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.67 -56.94 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 11.1 ptp -65.92 125.34 25.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.463 HG23 ' HA ' ' A' ' 20' ' ' GLN . 31.9 m -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.361 -170.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.21 -54.53 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -79.02 -5.26 53.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.614 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.91 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.154 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.28 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.325 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.7 OUTLIER -63.05 -51.33 67.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.86 -174.475 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.648 ' HA ' ' HZ3' ' B' ' 32' ' ' LYS . 30.1 m-20 -76.35 -40.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -176.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.88 -37.61 78.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.046 0.45 . . . . 0.0 110.527 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -63.45 -40.89 98.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.648 ' HZ3' ' HA ' ' B' ' 29' ' ' ASP . 38.0 mtmm -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.867 -175.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' A' ' 79' ' ' PRO . 38.1 pt -75.67 -33.27 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.87 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -71.34 -32.23 68.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.436 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 75.6 m -61.24 -31.05 70.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.163 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.14 73.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.384 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' B' ' 83' ' ' ALA . 4.4 pp -72.46 -24.52 61.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 110.608 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.748 ' HA ' ' HE2' ' B' ' 84' ' ' LYS . 9.6 tt -68.05 -38.87 82.95 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 1.008 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.2 OUTLIER -70.44 -57.23 5.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.908 -178.566 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.2 m -161.33 84.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.98 -21.23 64.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.94 HD12 ' HA ' ' B' ' 56' ' ' CYS . 1.3 mt -126.72 -156.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -173.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.484 ' H ' HG22 ' B' ' 42' ' ' ILE . 41.3 mt-10 -103.43 142.56 34.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 0.0 111.747 -170.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.866 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -130.43 115.12 30.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.482 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.8 m -87.35 142.84 27.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.328 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.848 ' HG2' ' H ' ' B' ' 51' ' ' GLY . 0.0 OUTLIER -83.13 -175.56 5.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.534 0.683 . . . . 0.0 111.702 178.073 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.26 -23.22 14.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.61 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -165.87 101.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.786 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.18 -85.6 0.1 OUTLIER Glycine 0 C--N 1.317 -0.525 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.363 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.848 ' H ' ' HG2' ' B' ' 47' ' ' GLU . . . 178.65 147.53 7.1 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.866 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -65.71 124.39 22.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.084 0.469 . . . . 0.0 110.735 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -132.47 138.64 47.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.739 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -91.46 133.32 35.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -108.74 104.45 13.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.94 ' HA ' HD12 ' B' ' 42' ' ' ILE . 73.4 m -78.11 86.56 4.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -60.84 -33.27 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.198 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 25.3 p -107.68 -29.58 9.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.482 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.55 33.06 7.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.26 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.12 155.2 31.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.649 0.261 . . . . 0.0 110.468 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -119.85 140.91 50.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.743 HG22 ' HD2' ' B' ' 64' ' ' PRO . 4.6 p -146.71 155.72 48.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.743 ' HD2' HG22 ' B' ' 63' ' ' VAL . 75.0 Cg_exo -51.44 168.85 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.648 2.232 . . . . 0.0 113.291 172.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -73.62 164.3 26.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 81.7 mt 60.85 26.37 16.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 60.72 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.861 -172.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m 57.29 28.13 14.76 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.893 0.854 . . . . 0.0 109.68 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.507 ' HA3' HG21 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.441 -1.017 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.344 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 113.72 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.415 0.447 . . . . 0.0 109.84 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.575 ' HA ' HG21 ' B' ' 81' ' ' VAL . 82.3 m-20 -80.9 4.31 19.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.528 0.68 . . . . 0.0 110.45 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.42 -8.39 58.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.871 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.32 138.14 42.06 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.06 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.88 -15.54 47.98 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.496 . . . . 0.0 112.694 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.439 HG13 HD13 ' B' ' 37' ' ' LEU . 60.9 t -62.99 -36.16 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' B' ' 76' ' ' ASP . 44.0 t -71.91 -35.28 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.015 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.509 ' O ' HG13 ' B' ' 86' ' ' ILE . 25.3 mm -56.89 -50.64 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.485 ' HB3' HD11 ' B' ' 37' ' ' LEU . . . -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -177.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' B' ' 38' ' ' LEU . 84.0 mttt -63.34 -41.4 98.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.287 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -58.54 -42.41 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.947 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.509 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.4 mt -60.34 -50.65 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.383 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.9 -14.55 61.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 111.528 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.9 m -90.11 -4.39 57.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.329 -0.303 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.827 179.661 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' B' ' 89' ' ' SER . 76.7 t80 -135.38 158.88 43.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.312 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -63.48 93.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 178.73 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.49 53.23 0.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.488 175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.416 ' HB3' ' HD1' ' B' ' 19' ' ' PHE . 17.8 mmt -85.24 114.12 22.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.608 0.242 . . . . 0.0 110.425 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.9 p -101.92 -169.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.04 -42.09 65.39 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.377 0.671 . . . . 0.0 111.954 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 p -77.87 -9.69 59.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -22.26 65.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.129 0.49 . . . . 0.0 110.377 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.63 69.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.991 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -51.32 59.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -70.81 -37.38 73.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.1 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.11 -37.62 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.535 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -74.51 -29.08 61.26 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.4 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 34.1 ttmt -53.81 -43.72 69.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.242 0.544 . . . . 0.0 110.083 173.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.658 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 39.2 mt -62.66 -44.28 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.269 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.84 -32.34 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.076 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 61.5 m -58.29 -30.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -62.15 -47.2 85.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.011 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 pp -78.84 -24.73 44.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.35 -31.04 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 35' ' ' THR . 10.3 mtmp? -75.68 -41.8 52.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.461 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 m -152.56 -75.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.316 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.78 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 66.45 -65.18 0.2 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.42 0.688 . . . . 0.0 111.914 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.6 mt -53.15 147.4 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.762 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.26 145.93 30.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 111.134 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -111.4 126.94 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-O 121.346 0.593 . . . . 0.0 111.472 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 53' ' ' HIS . 9.9 m . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 83.6 m-70 . . . . . 0 CA--C 1.52 -0.198 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.38 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -126.24 138.3 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.521 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.2 t -91.81 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -10.79 59.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.455 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.572 HD21 ' HD2' ' A' ' 79' ' ' PRO . 10.3 tp -95.02 -26.94 15.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.026 -171.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.14 -19.28 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.516 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.59 11.22 64.34 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.922 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.96 132.9 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.886 0.343 . . . . 0.0 110.634 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.3 m -112.73 124.89 53.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.057 0.456 . . . . 0.0 111.405 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.56 136.91 19.88 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.548 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 1.5 Cg_endo -44.83 -59.35 1.17 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.506 ' CD1' ' HG ' ' A' ' 66' ' ' LEU . 3.9 t-105 -179.76 -78.65 0.01 OUTLIER 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.777 0.673 . . . . 0.0 109.895 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 65' ' ' TRP . 68.6 mt -109.66 95.43 5.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.387 0.613 . . . . 0.0 111.574 -177.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -132.51 -94.57 0.34 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 172.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -151.92 96.79 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.617 -169.119 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.0 m80 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . -96.09 143.11 27.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -72.47 -16.91 61.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.051 0.453 . . . . 0.0 111.156 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -108.33 4.11 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.869 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 19.6 p -82.42 134.95 47.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.816 -177.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.656 ' HA ' HG22 ' B' ' 33' ' ' ILE . 91.1 Cg_exo -47.4 -30.58 11.69 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.091 3.194 . . . . 0.0 113.903 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 46.9 t -54.73 -39.47 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 111.338 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' SG ' ' A' ' 78' ' ' CYS . 59.2 t -71.75 -44.64 68.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.051 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.84 -41.44 82.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.97 75.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.0 mttt -62.64 -43.56 98.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 177.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -61.43 -38.06 85.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.752 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.9 mt -72.5 -42.42 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.04 -15.96 61.06 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.462 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.7 m -77.6 83.75 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.921 0.391 . . . . 0.0 110.332 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.43 ' HA ' ' OH ' ' B' ' 18' ' ' TYR . 32.6 t -73.62 87.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.47 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.732 -179.556 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.43 ' OH ' ' HA ' ' A' ' 89' ' ' SER . 10.9 p90 . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.626 ' HA ' ' HB2' ' B' ' 22' ' ' MET . 47.5 m-85 68.65 170.45 0.29 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.766 0.666 . . . . 0.0 111.209 -171.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 73.46 -48.03 0.67 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.558 0.743 . . . . 0.0 110.542 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.09 33.16 3.95 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.626 ' HB2' ' HA ' ' B' ' 19' ' ' PHE . 9.8 ttt -83.5 132.87 34.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.7 p -103.7 -175.6 2.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.37 -39.73 67.46 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.788 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -57.79 -20.79 37.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.99 66.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.378 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.16 73.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.723 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.62 -47.56 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.84 -27.05 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.641 0.258 . . . . 0.0 111.32 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.59 -38.07 75.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 172.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.726 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 89.3 mtt180 -65.21 -38.16 89.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.206 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.02 -55.25 35.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.363 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.656 HG22 ' HA ' ' A' ' 79' ' ' PRO . 31.5 pt -66.01 -38.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.397 -177.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -75.17 -39.49 60.28 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.0 m -62.06 -35.28 78.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.249 -0.282 . . . . 0.0 111.475 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 79' ' ' PRO . . . -68.25 -44.33 75.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.985 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.918 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.5 pp -73.82 -29.08 61.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' B' ' 84' ' ' LYS . 9.1 tt -72.31 -37.75 68.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.073 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 1.012 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.4 OUTLIER -69.38 -57.81 4.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.733 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t -172.72 82.02 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.972 0.891 . . . . 0.0 111.933 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.918 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.21 -11.76 23.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.049 170.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.785 HD12 ' HG2' ' B' ' 57' ' ' LYS . 8.5 mm -98.08 -125.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.252 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -168.73 147.05 4.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.428 . . . . 0.0 110.44 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.666 HD11 ' HB1' ' B' ' 52' ' ' ALA . 8.1 tt -79.56 127.43 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.438 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.19 116.72 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.412 0.625 . . . . 0.0 110.078 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.7 m -91.8 145.82 24.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.863 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.94 151.58 27.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.879 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.32 -33.29 74.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.23 114.92 8.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.789 174.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.38 -92.49 0.17 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.145 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.62 -139.37 2.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.666 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -146.78 135.42 22.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -126.56 121.83 33.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.747 -174.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.645 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 59.0 t30 -82.45 112.63 19.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -99.12 149.76 22.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.593 -169.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.594 ' HA ' HG13 ' B' ' 42' ' ' ILE . 61.7 m -109.82 117.09 32.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.785 ' HG2' HD12 ' B' ' 42' ' ' ILE . 18.6 ptpt -75.19 7.16 3.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.449 HD21 ' HB1' ' A' ' 36' ' ' ALA . 7.6 mp -109.85 -47.5 3.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 111.697 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 64.2 m -89.74 -9.15 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.98 44.28 97.63 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.78 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.15 163.55 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m -137.68 142.96 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.989 0.423 . . . . 0.0 111.184 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.439 HG11 ' HA2' ' B' ' 69' ' ' GLY . 7.6 p -108.32 130.42 22.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.536 ' HB2' ' CG ' ' B' ' 67' ' ' GLN . 45.4 Cg_exo -56.42 146.36 74.2 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.637 2.225 . . . . 0.0 112.604 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.45 138.07 57.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.288 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt 67.29 22.41 9.6 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.368 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.536 ' CG ' ' HB2' ' B' ' 64' ' ' PRO . 85.9 mm-40 -83.95 -71.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 171.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.9 t -175.25 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.962 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.439 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.297 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.414 0.626 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.35 116.21 0.6 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.56 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -82.09 -10.72 59.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.33 0.586 . . . . 0.0 110.28 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.851 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.462 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 84.1 m -78.31 133.83 63.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.658 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.3 Cg_exo -56.62 -30.99 85.55 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.237 2.625 . . . . 0.0 112.981 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 24.7 m -69.68 -30.93 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.79 0.329 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -75.5 -47.2 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.494 ' O ' HG12 ' B' ' 86' ' ' ILE . 10.7 tp -61.16 -35.76 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.401 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -54.65 -43.45 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.071 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.493 ' HG2' HD12 ' B' ' 38' ' ' LEU . 92.6 mttt -61.5 -42.15 98.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.617 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.13 -27.28 65.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.35 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.494 HG12 ' O ' ' B' ' 82' ' ' ILE . 48.3 mm -74.3 -39.25 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.098 0.475 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.726 ' HB2' ' HG2' ' B' ' 31' ' ' ARG . 4.6 pp -89.03 -0.45 57.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.843 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.8 p -53.13 -55.24 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.741 -174.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.457 ' HA ' ' CE1' ' A' ' 18' ' ' TYR . 9.2 t . . . . . 0 C--O 1.235 0.298 0 O-C-N 123.981 0.801 . . . . 0.0 110.31 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -117.28 159.89 21.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -62.62 -11.22 15.54 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -73.77 -34.71 64.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.864 0.364 . . . . 0.0 110.425 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.68 104.81 0.9 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.929 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.446 ' HE3' ' HG3' ' B' ' 22' ' ' MET . 23.8 mmt -91.02 109.25 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 0.0 111.348 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 p -91.94 -70.56 0.68 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.609 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.86 -36.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.839 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -74.95 9.08 2.08 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.88 67.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.602 . . . . 0.0 109.952 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.689 ' HA ' ' CE1' ' B' ' 19' ' ' PHE . . . -68.56 -28.63 67.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.171 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.78 -55.17 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 10.9 t70 -69.99 -38.36 75.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -173.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.61 -40.33 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.017 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 31' ' ' ARG . 24.4 ttt85 -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 37.0 ttmt -53.92 -42.54 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.087 174.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.944 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 42.3 mt -70.04 -46.99 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.731 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -59.98 -32.48 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.012 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.483 ' HA ' HD23 ' A' ' 38' ' ' LEU . 67.4 m -55.03 -29.3 57.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.892 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.89 71.52 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.773 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.9 pp -74.19 -23.85 59.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.941 0.4 . . . . 0.0 110.958 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 35' ' ' THR . 3.2 mm? -73.63 -25.86 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.108 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -80.56 -58.15 3.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.6 p -137.79 -69.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.773 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 68.87 -60.93 0.43 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.009 0.818 . . . . 0.0 112.028 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.4 mt -73.22 142.35 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.203 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' OE2' ' HB2' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -110.73 151.32 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.728 177.022 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.3 pt -102.09 118.79 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 53' ' ' HIS . 21.4 t . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.528 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 93.9 m-70 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -91.23 105.47 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -117.91 143.79 46.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.654 -170.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.545 ' CB ' ' HB2' ' A' ' 59' ' ' CYS . 62.3 m -91.92 111.82 23.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.939 172.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HZ2' ' HB2' ' A' ' 57' ' ' LYS . 4.7 ttmp? -40.29 -50.75 2.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -171.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' H ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -129.83 7.53 5.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 112.166 -173.099 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.545 ' HB2' ' CB ' ' A' ' 56' ' ' CYS . 74.1 m -85.57 -5.55 59.27 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.33 44.8 84.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.914 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.76 138.13 19.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.973 0.416 . . . . 0.0 111.443 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -140.96 130.63 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.35 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.11 143.28 48.73 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HB2' ' HB2' ' A' ' 67' ' ' GLN . 84.1 Cg_exo -46.84 136.86 16.72 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.858 2.372 . . . . 0.0 112.351 173.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -58.37 127.81 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.623 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt 71.96 8.51 6.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.398 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 64' ' ' PRO . 23.0 tm0? -75.32 -42.2 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.0 p -144.21 -76.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 111.277 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.955 -178.453 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.41 143.06 30.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -103.81 -22.25 13.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.066 0.46 . . . . 0.0 110.909 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.56 -0.65 51.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.637 0.732 . . . . 0.0 110.414 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -74.51 150.12 86.73 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.196 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.585 ' HB3' ' HG2' ' B' ' 32' ' ' LYS . 47.9 Cg_endo -69.26 -9.79 27.23 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.743 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 HD21 ' A' ' 58' ' ' LEU . 60.4 t -62.1 -38.6 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.283 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 48.4 t -62.93 -46.28 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.024 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.427 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.4 mm -58.08 -46.64 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.735 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -43.38 80.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -61.43 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.806 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 47.0 mt-30 -62.74 -38.78 91.87 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 82' ' ' ILE . 69.4 mt -61.82 -55.2 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.566 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.8 -18.56 63.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.326 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.7 m -81.36 -40.51 23.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.623 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m 62.37 16.47 8.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.624 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.874 -177.372 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' B' ' 19' ' ' PHE . 17.7 t80 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.689 ' CE1' ' HA ' ' A' ' 27' ' ' ALA . 19.8 m-85 74.7 130.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.973 0.796 . . . . 0.0 111.206 -175.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 70.28 -67.4 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.183 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 41.88 3.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.707 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.604 ' SD ' ' HA ' ' B' ' 19' ' ' PHE . 14.5 ptm -111.87 123.64 50.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.687 0.756 . . . . 0.0 110.382 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 60.8 m -138.47 136.14 35.89 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.389 -171.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 66.49 -75.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.971 0.795 . . . . 0.0 112.764 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -73.55 -4.48 34.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.703 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.73 -37.79 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.681 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.96 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.81 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.87 -43.16 25.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -64.41 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.29 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.89 -32.37 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.297 0.57 . . . . 0.0 110.031 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.13 -31.32 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.019 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.585 ' HG2' ' HB3' ' A' ' 79' ' ' PRO . 50.1 tttp -56.94 -54.37 47.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.531 HG22 ' HB2' ' A' ' 79' ' ' PRO . 34.6 pt -72.82 -31.8 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.752 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.65 -30.16 71.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.643 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -54.58 -35.45 63.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.55 97.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.36 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.595 ' HB2' HG13 ' B' ' 80' ' ' VAL . 3.9 pp -81.39 -23.26 37.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.973 0.416 . . . . 0.0 110.946 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.47 -38.04 68.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.77 -51.16 70.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.262 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -160.98 -37.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.747 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.73 -64.37 0.32 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.765 HG13 ' HA ' ' B' ' 56' ' ' CYS . 12.5 mm -107.52 174.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.448 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.64 ' H ' HG22 ' B' ' 42' ' ' ILE . 2.7 pm0 -103.51 158.61 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 0.0 110.792 -176.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.452 ' O ' HD12 ' B' ' 44' ' ' ILE . 2.2 pp -117.42 143.34 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.248 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 m -112.92 128.0 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.914 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -89.65 138.31 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.762 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.94 102.18 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 54.33 -85.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.82 0.7 . . . . 0.0 111.664 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.17 9.49 0.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.7 . . . . 0.0 109.985 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.13 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.268 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.75 -155.55 8.92 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.957 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' HB2' ' B' ' 65' ' ' TRP . . . -145.85 155.15 42.71 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.796 0.331 . . . . 0.0 110.372 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -112.93 123.24 49.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.387 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' B' ' 42' ' ' ILE . 48.6 t-20 -91.58 113.82 26.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.421 ' O ' HG21 ' B' ' 42' ' ' ILE . 7.4 pt20 -113.16 100.76 8.84 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.765 ' HA ' HG13 ' B' ' 42' ' ' ILE . 22.0 p -51.66 123.67 10.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.673 0.749 . . . . 0.0 111.654 -171.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.536 ' H ' HD12 ' B' ' 42' ' ' ILE . 22.1 ttpt -78.69 44.95 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.61 -174.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.515 HD22 HG23 ' B' ' 80' ' ' VAL . 11.4 tp -158.08 -63.18 0.09 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.754 -172.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' B' ' 56' ' ' CYS . 53.0 t -89.89 -37.98 14.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.568 -174.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.82 -1.03 45.06 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.579 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.09 148.46 26.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.723 -0.281 . . . . 0.0 110.308 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 19.5 m -116.27 146.08 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 8.0 p -130.78 136.21 28.56 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 177.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.62 140.24 80.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.918 2.412 . . . . 0.0 113.018 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.482 ' HB2' ' HB3' ' B' ' 52' ' ' ALA . 22.5 t90 -57.91 146.2 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.591 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 88.6 mt 81.73 -20.81 0.34 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.999 0.919 . . . . 0.0 112.693 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -103.01 91.95 4.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.622 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 21.1 m 63.6 -77.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.461 174.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.441 -177.73 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.08 96.73 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.59 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.76 -23.13 65.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.85 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -77.2 -23.79 51.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 58' ' ' LEU . 95.6 m -63.78 135.7 96.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.944 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 15.3 Cg_exo -33.49 -60.4 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.822 1 C-N-CA 125.44 4.094 . . . . 0.0 115.18 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.595 HG13 ' HB2' ' B' ' 37' ' ' LEU . 89.8 t -63.4 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 111.406 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.0 -41.69 59.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 86' ' ' ILE . 10.5 tp -66.62 -40.94 87.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.766 0.317 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.518 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -60.42 -38.73 85.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.15 -33.74 72.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -79.12 -33.51 44.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 82' ' ' ILE . 69.0 mt -62.38 -47.04 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.517 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.752 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.2 pp -72.11 -6.04 39.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.118 0.485 . . . . 0.0 111.148 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -103.42 -66.59 0.93 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.238 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.234 0.283 0 C-N-CA 123.765 0.826 . . . . 0.0 111.104 -176.126 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' GLY . 20.8 tp . . . . . 0 C--O 1.238 0.456 0 CA-C-O 121.319 0.58 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.0 t80 60.82 -167.64 0.18 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.05 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' HZ ' ' HB ' ' B' ' 30' ' ' VAL . 96.5 m-85 -78.6 0.47 26.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -78.49 -48.69 14.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 17' ' ' LEU . . . -135.27 68.61 0.53 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.001 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 mmt -64.73 136.06 56.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.113 0.482 . . . . 0.0 110.882 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -114.79 -171.3 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.474 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.94 -52.72 54.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.801 0.44 . . . . 0.0 112.143 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -79.17 10.34 3.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.069 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.25 -11.65 61.05 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.823 0.821 . . . . 0.0 109.737 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.53 57.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.54 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.42 -48.37 17.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.565 -173.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.603 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 26.4 p-10 -81.69 -46.36 14.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 33' ' ' ILE . 84.4 t -63.3 -35.94 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -73.79 -28.88 61.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.806 -0.559 . . . . 0.0 111.352 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 40.6 mtmt -65.18 -39.81 93.4 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 30' ' ' VAL . 35.1 pt -64.13 -34.09 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 83' ' ' ALA . . . -75.08 -32.54 61.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.3 m -72.46 -30.1 64.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.857 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -55.66 -27.28 49.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.382 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.828 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 63.2 mt -60.45 -42.86 97.03 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.609 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.3 mp -77.27 -28.39 53.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.181 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.22 -52.64 38.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.439 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 7.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . -73.39 -22.57 60.22 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.345 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.3 mt -77.89 145.48 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.806 ' HG2' ' HB3' ' B' ' 43' ' ' GLU . 3.8 tp10 -105.82 157.91 17.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 112.323 -168.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.4 mm -117.42 114.59 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.167 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 53' ' ' HIS . 5.5 m . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 95.5 m-70 . . . . . 0 CA--C 1.514 -0.405 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -82.26 105.55 13.43 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 172.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.544 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 0.1 OUTLIER -106.86 116.44 31.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.1 0.476 . . . . 0.0 110.991 -168.296 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.72 90.38 8.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.876 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -73.92 9.46 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.395 -175.231 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD21 ' HB1' ' B' ' 36' ' ' ALA . 7.0 mp -106.57 15.11 26.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.6 t -155.77 -27.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.463 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.56 56.12 2.31 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.526 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.72 133.85 14.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.623 0.249 . . . . 0.0 110.444 -178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.544 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 65.2 p -120.31 152.53 37.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.59 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.6 p -141.46 137.96 17.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.661 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.75 141.07 11.94 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.803 2.335 . . . . 0.0 112.868 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 3.1 t-105 -69.03 160.8 30.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.187 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 3.3 mm? 74.17 -17.84 0.44 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.35 0.66 . . . . 0.0 111.471 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' TRP . 49.2 tt0 -82.15 2.67 30.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.162 0.506 . . . . 0.0 110.295 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.1 m 73.73 -53.43 0.69 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.59 ' HA2' HG11 ' A' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.681 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.671 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.2 t60 . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 99.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.25 -14.04 60.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -160.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -89.48 -3.14 58.5 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.88 153.84 30.84 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.879 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.588 ' HA ' HG22 ' A' ' 82' ' ' ILE . 11.5 Cg_endo -54.52 -19.01 16.53 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.567 2.845 . . . . 0.0 113.775 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.76 -47.04 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.37 -39.56 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.769 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 79' ' ' PRO . 11.1 tp -65.87 -35.87 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.095 0.474 . . . . 0.0 109.898 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 34' ' ' ALA . . . -65.57 -39.78 92.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.24 173.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.43 -42.0 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.625 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.09 -43.23 99.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.592 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 82' ' ' ILE . 72.0 mt -62.3 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.32 -5.95 57.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.9 t -93.77 14.31 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -53.07 136.05 36.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.272 -167.549 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 70.87 163.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.65 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 61.93 16.92 8.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.542 0.687 . . . . 0.0 110.086 -166.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.67 149.45 5.81 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 7.1 mmt -150.38 157.7 43.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.931 0.365 . . . . 0.0 110.589 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -99.16 171.03 8.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.621 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.91 -41.0 99.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.977 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.614 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.22 67.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.566 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.53 -37.01 82.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' B' ' 31' ' ' ARG . 8.8 tp10 -68.29 -44.67 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.87 -41.88 86.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.547 ' HB ' ' HZ ' ' A' ' 19' ' ' PHE . 92.5 t -72.41 -38.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.443 ' HD2' ' CD ' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -66.45 -29.86 70.08 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.786 176.508 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.443 ' CD ' ' HD2' ' B' ' 31' ' ' ARG . 12.5 mptt -64.86 -50.48 66.46 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -67.29 -32.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.753 0.311 . . . . 0.0 110.984 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.65 74.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -70.3 -30.63 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.459 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -55.12 -48.33 73.78 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -175.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.647 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.567 HD22 HD21 ' B' ' 87' ' ' LEU . 10.1 mp -80.07 -26.67 39.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 111.539 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -84.3 -58.2 2.85 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 11.6 t -136.04 -1.63 2.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.156 -0.617 . . . . 0.0 112.523 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -62.72 -31.23 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.395 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.431 HG23 ' O ' ' B' ' 55' ' ' GLN . 75.5 mt -93.41 115.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.225 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.806 ' HB3' ' HG2' ' A' ' 43' ' ' GLU . 4.2 tp10 -119.22 155.99 30.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' C ' ' B' ' 53' ' ' HIS . 18.5 tt -103.67 129.12 56.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.54 127.82 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.02 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 37.2 m -89.63 161.27 16.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.104 0.478 . . . . 0.0 111.66 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -90.81 -157.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.91 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.98 -50.27 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.081 0.467 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -154.79 -26.44 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.133 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.51 -35.34 91.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.446 -0.407 . . . . 0.0 114.073 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.76 -149.51 13.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.897 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -144.85 168.33 20.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.65 0.262 . . . . 0.0 110.499 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.41 ' C ' HG13 ' B' ' 44' ' ' ILE . 84.3 m-70 -130.12 113.98 15.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 110.368 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.63 116.76 24.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.431 ' O ' HG23 ' B' ' 42' ' ' ILE . 10.6 pt20 -111.36 115.87 30.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.339 0.59 . . . . 0.0 111.92 -171.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 80.5 m -80.85 91.2 5.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.473 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -54.9 -46.3 74.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.795 -171.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.41 -13.91 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 26.3 m -102.58 -27.59 12.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.783 0.325 . . . . 0.0 110.501 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.17 34.73 22.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.044 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.54 135.82 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.753 0.311 . . . . 0.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -117.25 145.74 43.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.946 0.403 . . . . 0.0 110.597 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 12.7 p -135.5 137.11 25.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' B' ' 67' ' ' GLN . 6.4 Cg_endo -50.88 158.03 3.36 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.633 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -41.38 -64.64 0.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.939 0.896 . . . . 0.0 111.881 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mp -123.63 92.12 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.352 0.596 . . . . 0.0 111.307 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.527 ' HB2' ' HG2' ' B' ' 64' ' ' PRO . 31.5 tt0 -127.06 -54.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.796 172.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t 174.11 152.66 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.871 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 120.365 -0.921 . . . . 0.0 111.543 176.627 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 78' ' ' CYS . . . -78.68 134.44 37.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.3 174.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.86 -23.16 58.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.12 0.486 . . . . 0.0 110.732 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.14 -0.53 41.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.573 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 75' ' ' ALA . 17.8 p -74.97 154.59 86.77 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.439 ' HB3' HG22 ' A' ' 33' ' ' ILE . 15.5 Cg_exo -70.05 -10.81 29.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.0 2.467 . . . . 0.0 113.084 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.8 -45.58 91.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.562 0.22 . . . . 0.0 111.239 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 48.4 t -58.82 -49.86 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.454 ' O ' HG13 ' B' ' 86' ' ' ILE . 7.3 tp -67.7 -45.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -177.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.32 93.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.871 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' B' ' 38' ' ' LEU . 12.0 ptmm? -64.85 -27.59 68.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.993 0.425 . . . . 0.0 110.965 -177.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.23 -41.39 49.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.485 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.3 mt -62.16 -45.01 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 0.0 111.54 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.567 HD21 HD22 ' B' ' 38' ' ' LEU . 4.6 pp -75.46 -5.78 46.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.018 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -92.22 13.15 19.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.393 -178.192 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HG ' ' H ' ' A' ' 22' ' ' MET . 5.0 tt . . . . . 0 C--O 1.231 0.102 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -132.04 -45.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -73.29 -105.78 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.925 0.393 . . . . 0.0 111.108 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -106.53 -32.29 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.78 115.68 0.51 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.841 174.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.753 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 1.3 mpt? -88.93 -173.45 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 172.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.7 p 52.49 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.025 0.828 . . . . 0.0 112.161 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 70.8 -63.61 0.41 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.11 -173.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.5 m -64.64 -26.28 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.357 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -53.77 -40.27 66.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -68.96 -38.77 79.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.739 0.304 . . . . 0.0 111.065 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.9 tp10 -85.3 -32.69 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -173.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.08 -41.38 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.657 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.07 -34.03 49.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.673 ' HG2' ' HA ' ' A' ' 87' ' ' LEU . 89.1 mtt180 -61.15 -42.66 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 12.3 mptt -57.85 -32.32 67.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.059 -177.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.662 ' HA ' ' HB2' ' B' ' 79' ' ' PRO . 53.4 mt -64.48 -47.46 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.194 0.521 . . . . 0.0 110.405 177.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.84 -32.66 59.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.12 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.447 ' OG1' ' HA ' ' A' ' 32' ' ' LYS . 2.6 p -62.01 -30.42 70.94 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -173.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.65 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -72.98 -32.84 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.634 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.39 -27.32 41.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.55 -57.29 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.565 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.45 ' OG1' ' HD3' ' B' ' 57' ' ' LYS . 5.7 t -155.98 90.19 1.2 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.341 1.067 . . . . 0.0 110.823 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.556 ' O ' ' HE2' ' A' ' 57' ' ' LYS . . . -140.89 -36.01 0.47 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.029 -1.442 . . . . 0.0 109.207 172.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.5 mt -70.62 124.56 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -105.31 145.95 30.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 0.0 110.942 -173.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.54 126.6 56.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.679 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 121.132 0.492 . . . . 0.0 110.352 179.219 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.653 0.263 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.74 ' HB3' ' HB ' ' A' ' 63' ' ' VAL . 27.8 t-20 -89.75 112.79 24.18 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -109.39 112.66 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.181 0.515 . . . . 0.0 111.696 -174.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -88.61 93.43 9.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.728 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -75.19 0.44 16.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.919 -174.4 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' B' ' 40' ' ' THR . 0.3 OUTLIER -86.59 -55.87 3.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.456 -177.565 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.7 p -93.96 -29.09 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.41 . . . . 0.0 110.989 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.77 45.52 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.44 134.55 54.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -101.59 134.71 44.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.182 0.515 . . . . 0.0 110.259 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.74 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 57.2 t -123.18 135.75 26.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.635 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' TRP . 29.5 Cg_exo -63.81 0.78 1.78 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.17 2.58 . . . . 0.0 113.396 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.557 ' H ' HG12 ' A' ' 63' ' ' VAL . 70.2 t-105 72.84 151.05 0.11 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.62 0.768 . . . . 0.0 111.149 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.61 -60.55 0.53 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.714 0.806 . . . . 0.0 109.882 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.96 123.2 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.4 t -74.45 -24.14 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.785 0.326 . . . . 0.0 111.017 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.267 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.497 178.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.1 125.08 29.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -13.85 59.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.718 0.295 . . . . 0.0 111.772 -170.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.35 -25.5 33.8 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.608 0.242 . . . . 0.0 111.498 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 81' ' ' VAL . 31.6 p -79.38 146.7 66.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.434 -175.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.548 ' HG2' ' HB2' ' B' ' 36' ' ' ALA . 33.1 Cg_exo -64.02 0.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.621 2.881 . . . . 0.0 113.845 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.0 -31.62 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.035 0.445 . . . . 0.0 110.355 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 78' ' ' CYS . 16.2 m -62.66 -38.62 82.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 110.856 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 32.2 mm -75.03 -39.2 44.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.956 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.8 -51.39 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.665 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.93 -51.55 68.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.593 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 82' ' ' ILE . 12.7 pt20 -61.86 -29.8 70.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.663 -172.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 82' ' ' ILE . 75.6 mt -75.77 -50.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.61 0.243 . . . . 0.0 111.48 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.673 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 4.3 pp -81.61 -10.98 59.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 t -112.23 19.69 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -82.66 88.76 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.194 0.521 . . . . 0.0 110.917 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.293 179.648 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.447 ' HB2' ' HG2' ' B' ' 22' ' ' MET . 39.1 m-85 -86.13 70.72 10.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.181 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 45.87 73.78 0.16 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.845 0.716 . . . . 0.0 112.035 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.35 -47.83 3.81 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.526 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.723 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 80.8 mtp 68.25 9.21 7.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.375 0.67 . . . . 0.0 112.241 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -93.85 -58.59 2.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.329 0.585 . . . . 0.0 110.207 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.26 -55.13 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.312 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -60.57 -27.74 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.372 -174.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.723 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -57.82 -46.34 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.98 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.52 -28.79 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.742 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.536 ' HG3' ' NH2' ' B' ' 31' ' ' ARG . 25.8 tt0 -78.85 -39.2 35.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.376 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.65 -27.19 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.589 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.85 -30.1 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.045 0.45 . . . . 0.0 109.853 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.536 ' NH2' ' HG3' ' B' ' 28' ' ' GLU . 45.6 ttp180 -55.69 -30.15 60.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 174.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -53.04 -55.37 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.895 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 29.2 pt -77.47 -28.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.108 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.566 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.37 -32.36 73.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -73.97 -34.79 64.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.381 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . . . -61.51 -52.63 63.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.554 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.2 pp -62.93 -23.5 67.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.652 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -78.52 -40.14 35.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.435 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -91.9 -38.92 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.773 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.578 HG23 ' HG ' ' A' ' 58' ' ' LEU . 3.0 t -148.06 87.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 111.511 -177.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -158.74 -60.92 0.07 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.91 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.437 HG23 ' O ' ' B' ' 55' ' ' GLN . 49.3 mm -75.42 117.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.331 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.16 171.67 7.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 0.0 111.322 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.714 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -137.19 127.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.249 -176.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 53' ' ' HIS . 9.9 m -101.05 111.1 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.963 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.1 p -98.66 123.92 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.501 0.667 . . . . 0.0 112.207 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' B' ' 51' ' ' GLY . 15.0 mm-40 -88.17 116.92 26.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.427 171.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.28 -29.65 70.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.16 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.26 -55.4 8.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.767 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.92 89.26 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.703 -1.237 . . . . 0.0 114.13 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' B' ' 47' ' ' GLU . . . 136.55 123.18 2.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.702 166.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.714 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -106.93 126.28 52.11 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.402 ' HB2' HG23 ' B' ' 45' ' ' VAL . 91.5 m-70 -113.47 109.02 17.99 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.052 -175.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.942 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 58.7 t30 -91.66 115.61 28.19 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 173.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.437 ' O ' HG23 ' B' ' 42' ' ' ILE . 40.7 mt-30 -101.98 119.25 38.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 0.0 112.034 -168.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.21 79.22 3.99 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.45 ' HD3' ' OG1' ' A' ' 40' ' ' THR . 15.6 ptpt -70.11 -1.54 10.3 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.212 -169.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.77 -23.81 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.632 0.253 . . . . 0.0 111.388 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.77 -53.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.33 63.39 0.14 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.723 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.4 147.17 45.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 25.5 m -125.93 124.64 41.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.942 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 72.3 t -107.46 131.04 22.01 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.694 178.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 21.1 Cg_exo -67.65 -4.34 11.95 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.993 2.462 . . . . 0.0 112.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.805 ' H ' HG12 ' B' ' 63' ' ' VAL . 68.9 t-105 65.98 160.41 0.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.116 0.566 . . . . 0.0 111.347 178.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp 72.74 -15.38 0.51 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.884 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -82.72 35.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.582 0.23 . . . . 0.0 110.714 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m 73.07 -47.46 0.67 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.061 0.545 . . . . 0.0 111.308 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.508 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -54.49 131.63 43.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.766 0.666 . . . . 0.0 111.94 -176.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -70.31 -13.79 62.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.707 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.26 -1.08 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.854 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 71.2 m -97.39 143.28 25.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.662 ' HB2' ' HA ' ' A' ' 33' ' ' ILE . 33.3 Cg_endo -63.94 -9.28 18.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.936 2.424 . . . . 0.0 112.485 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' B' ' 84' ' ' LYS . 44.4 t -57.76 -42.73 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.781 177.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.436 HG12 ' O ' ' B' ' 78' ' ' CYS . 7.1 p -66.36 -39.79 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.23 0.538 . . . . 0.0 110.239 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 86' ' ' ILE . 37.7 mm -59.41 -52.82 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.426 177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.43 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' B' ' 80' ' ' VAL . 6.2 mptp? -63.57 -38.78 92.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.273 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 81' ' ' VAL . 55.8 mt-30 -62.97 -41.24 99.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 82' ' ' ILE . 76.0 mt -67.91 -46.39 82.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.421 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.566 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.6 pp -71.44 -21.2 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.182 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -84.16 -71.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.236 0.39 0 C-N-CA 123.266 0.626 . . . . 0.0 111.945 179.694 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' ' 22' ' ' MET . 3.8 t80 -135.26 173.12 12.07 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.984 -175.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CZ ' HG21 ' B' ' 30' ' ' VAL . 69.8 m-85 -76.12 62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.471 -173.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -129.06 -36.91 1.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.802 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.12 45.35 0.67 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.406 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 18' ' ' TYR . 37.2 mtt -71.28 158.28 36.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.07 0.462 . . . . 0.0 111.224 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 m -145.0 -47.41 0.23 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.561 -171.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -151.48 -60.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -63.12 -14.31 47.05 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -170.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -56.62 -35.28 68.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.774 0.321 . . . . 0.0 111.588 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.77 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.425 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.67 -45.99 90.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.41 -31.19 24.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 26' ' ' ALA . 73.7 t -61.9 -48.26 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.87 -29.44 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.189 177.597 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.1 ttmt -59.65 -51.85 68.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.985 -177.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -72.32 -33.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.203 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -65.51 -37.96 88.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -62.84 -47.87 81.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.421 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.4 pp -72.6 -29.6 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 7.0 tp -67.97 -33.04 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.597 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 52.5 mtpt -74.54 -34.01 62.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.503 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -94.75 -40.23 9.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HA ' ' HD3' ' A' ' 57' ' ' LYS . . . -82.91 -9.11 59.46 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.617 0.246 . . . . 0.0 111.434 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.3 mt -128.27 87.5 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -142.05 148.52 38.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.529 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 54' ' ' ASN . 23.8 pt -82.7 122.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.999 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 170.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 N--CA 1.459 -0.016 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.658 ' HB2' HG22 ' A' ' 44' ' ' ILE . 7.6 t30 -96.22 118.97 33.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 0.0 110.341 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.794 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 27.2 mp0 -106.65 138.95 41.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.1 t -94.68 92.99 7.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 166.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 41' ' ' ALA . 28.0 mtpp -52.61 -42.67 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -166.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.461 HD22 HG23 ' A' ' 80' ' ' VAL . 6.8 mp -77.68 -16.27 58.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -175.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 74' ' ' HIS . 82.6 m -97.34 -27.76 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.883 0.373 . . . . 0.0 110.548 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.96 32.58 44.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.102 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.7 143.05 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.794 ' HB3' ' HG3' ' A' ' 55' ' ' GLN . 5.4 p -129.86 140.55 50.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.435 . . . . 0.0 110.926 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.91 140.06 16.75 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -50.02 142.91 25.97 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 122.844 2.363 . . . . 0.0 112.406 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.498 ' H ' ' HE3' ' A' ' 65' ' ' TRP . 2.0 p90 -57.28 -21.98 38.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.332 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.458 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.03 -38.91 89.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.973 -173.626 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.79 -102.12 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t 175.08 148.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.283 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.305 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 p-80 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.26 105.66 17.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.591 ' HA ' HG21 ' A' ' 81' ' ' VAL . 14.2 m-20 -73.2 -6.85 48.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.342 0.591 . . . . 0.0 111.084 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.8 -30.29 65.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.833 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.2 p -73.04 146.43 87.32 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.419 . . . . 0.0 111.314 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HB2' HG22 ' B' ' 33' ' ' ILE . 35.1 Cg_endo -65.32 -11.18 29.0 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.022 2.481 . . . . 0.0 113.149 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.461 HG23 HD22 ' A' ' 58' ' ' LEU . 61.0 t -63.86 -39.4 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.267 0.555 . . . . 0.0 109.923 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 76' ' ' ASP . 38.6 t -70.45 -35.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.058 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.3 mm -59.74 -54.61 32.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.042 175.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.86 87.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.27 -45.53 90.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.968 0.414 . . . . 0.0 110.454 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.0 mt -64.18 -52.9 50.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.575 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.38 -21.02 65.63 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.612 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.567 ' HB3' ' HG2' ' A' ' 90' ' ' ARG . 61.7 m -79.89 -34.0 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.745 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.1 m 58.76 36.49 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 111.292 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 16.7 ptm180 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.586 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.419 ' HD1' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -73.8 2.44 8.38 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -98.41 102.78 14.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.062 0.458 . . . . 0.0 110.266 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . 102.88 -75.44 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.081 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' B' ' 21' ' ' GLY . 19.1 mmt 67.39 109.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.368 0.604 . . . . 0.0 111.139 -175.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.9 p -84.18 45.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -173.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t70 72.58 -54.03 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 173.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -57.92 -20.04 34.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.427 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.198 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.39 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.245 0.545 . . . . 0.0 110.222 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 20.8 mm-40 -67.91 -28.61 67.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.304 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.01 -44.6 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 110.835 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.463 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 84.6 t -66.34 -30.78 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 110.643 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.45 -32.5 74.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.314 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 64.4 mttp -73.56 -43.05 60.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.263 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.488 HG22 ' HB2' ' A' ' 79' ' ' PRO . 37.5 pt -65.43 -32.82 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 83' ' ' ALA . . . -69.3 -38.77 78.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.441 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.6 m -67.31 -29.27 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -54.42 -37.82 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.407 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.721 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.8 pp -73.69 -24.62 59.97 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.968 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.43 -26.95 52.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.111 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.444 ' HB3' ' HE3' ' B' ' 39' ' ' LYS . 27.8 mmmt -68.2 -55.32 12.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.087 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 8.3 t -175.25 83.02 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.397 1.094 . . . . 0.0 111.036 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.721 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -113.29 -37.82 4.59 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.15 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HE2' ' A' ' 57' ' ' LYS . 32.7 mt -71.1 136.57 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.866 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -117.42 148.03 42.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.44 . . . . 0.0 110.419 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -106.97 121.9 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.149 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.555 HG23 ' HB2' ' B' ' 53' ' ' HIS . 14.1 m -87.63 115.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -92.53 159.4 15.52 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.034 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.572 ' HG3' ' HA3' ' B' ' 51' ' ' GLY . 36.7 mt-10 -72.13 170.88 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.496 172.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -66.21 -38.78 88.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.83 -50.64 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.985 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.72 -81.87 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.572 ' HA3' ' HG3' ' B' ' 47' ' ' GLU . . . 54.19 -175.31 0.46 Allowed Glycine 0 N--CA 1.439 -1.14 0 CA-C-O 121.703 0.613 . . . . 0.0 114.516 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 51' ' ' GLY . . . 172.5 101.55 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.355 -1.423 . . . . 0.0 110.62 171.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.555 ' HB2' HG23 ' B' ' 45' ' ' VAL . 26.8 m-70 -113.03 110.51 20.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.007 0.432 . . . . 0.0 109.996 174.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.621 ' HB3' ' HD2' ' B' ' 64' ' ' PRO . 6.0 t30 -98.33 106.58 18.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.524 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -127.37 146.79 50.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' B' ' 61' ' ' ALA . 68.0 m -102.08 136.41 41.97 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.025 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -80.41 22.41 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.688 HD23 ' HD2' ' B' ' 79' ' ' PRO . 6.5 mp -104.26 -92.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.246 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' B' ' 74' ' ' HIS . 8.1 p -91.66 4.0 53.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.329 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.65 40.5 6.75 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.861 -176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' B' ' 56' ' ' CYS . . . -64.19 145.31 56.19 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 t -100.26 -170.47 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 111.848 -166.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.737 HG12 ' H ' ' B' ' 65' ' ' TRP . 58.7 t -95.2 123.13 58.03 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.784 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' B' ' 54' ' ' ASN . 97.8 Cg_endo -89.46 5.35 4.81 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.898 2.398 . . . . 0.0 112.502 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.737 ' H ' HG12 ' B' ' 63' ' ' VAL . 14.5 t-105 -77.1 -171.41 2.01 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.01 -9.22 58.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.19 -168.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.0 110.661 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.7 m -71.57 93.44 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.449 0.642 . . . . 0.0 110.459 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.649 ' HA3' ' O ' ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.443 -0.84 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.247 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' HIS . . . . . 0.572 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 14.4 p80 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.228 0.537 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.602 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -84.31 147.64 27.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.999 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.25 -4.32 59.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.564 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -94.3 -6.1 45.19 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.518 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 89.2 m -65.37 141.65 98.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.688 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.9 Cg_exo -57.11 -16.41 21.25 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.233 2.622 . . . . 0.0 113.273 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 89.9 t -64.67 -43.67 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.191 0.52 . . . . 0.0 109.905 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.98 -39.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.572 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.43 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.1 mm -62.21 -47.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.412 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 34' ' ' ALA . . . -54.83 -44.94 74.34 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 84.6 mttt -56.51 -50.21 72.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.559 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.81 -27.88 69.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.766 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.8 mt -75.69 -46.64 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 111.093 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.3 -15.73 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.79 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 64.0 m -84.39 90.82 7.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 111.312 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.496 0.665 . . . . 0.0 109.684 173.223 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD12 HG22 ' A' ' 23' ' ' THR . 42.1 mt . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -70.68 167.78 17.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.878 -172.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 20' ' ' GLN . 65.7 m-85 -55.18 150.93 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.138 -173.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' B' ' 22' ' ' MET . 29.9 tt0 79.16 -35.55 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.968 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.82 48.41 0.94 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -94.8 -178.77 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.838 0.351 . . . . 0.0 110.973 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.486 HG22 HD12 ' A' ' 17' ' ' LEU . 15.1 t -157.2 -165.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.979 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.64 -58.31 8.03 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.164 0.586 . . . . 0.0 112.456 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 m -62.13 -36.48 81.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.53 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.84 65.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 111.723 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.03 73.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 7.5 tp10 -75.24 -37.33 61.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.934 -174.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 7.1 m-20 -72.17 -36.43 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.22 -39.41 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 0.0 109.585 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.93 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 58.6 ttt180 -61.38 -38.01 85.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.289 174.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.5 ttmt -58.43 -43.9 88.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.845 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 58.4 mt -61.15 -46.66 96.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.446 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -31.95 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.466 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -72.32 -34.58 68.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.34 68.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 40.8 mt -62.59 -29.48 70.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.7 -176.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.74 -31.59 69.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 39' ' ' LYS . 26.3 mtpp -92.43 -57.14 2.78 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.003 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 m -116.29 41.11 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.139 0.495 . . . . 0.0 111.659 -169.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -141.78 21.26 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.044 0.45 . . . . 0.0 110.278 172.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.414 HG22 HD22 ' A' ' 54' ' ' ASN . 50.3 mm -124.9 109.44 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.539 ' CD ' ' HZ3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -108.81 161.71 14.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.699 0.761 . . . . 0.0 112.26 -172.503 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -119.76 126.1 74.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.803 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 121.245 0.545 . . . . 0.0 110.33 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 120.44 0.162 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 24.8 t-20 -81.4 105.94 12.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 175.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -123.65 133.96 53.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.27 0.557 . . . . 0.0 112.004 -166.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.78 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 4.9 p -81.84 113.23 19.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.991 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HZ3' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -61.58 -14.5 30.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.841 -176.415 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -140.21 91.44 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 110.268 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.78 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 44.9 t 168.4 -38.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.59 24.45 39.13 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.612 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.54 147.55 45.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.728 0.299 . . . . 0.0 111.294 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -107.57 127.55 53.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.238 0.542 . . . . 0.0 110.474 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.0 t -101.25 140.94 21.68 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.398 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.51 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 9.3 Cg_endo -53.37 135.18 59.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.581 2.187 . . . . 0.0 112.101 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.447 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 25.4 t-105 -62.73 144.09 56.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.665 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 95.3 mt 75.82 30.18 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 124.094 0.871 . . . . 0.0 110.888 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -111.3 165.58 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.657 173.593 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.1 m -61.94 -38.03 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.757 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.87 -179.61 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.744 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 92.5 m-70 . . . . . 0 C--O 1.233 0.187 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 78' ' ' CYS . . . -87.47 172.91 9.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.234 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.7 -33.04 71.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.795 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.96 16.09 12.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.62 0.724 . . . . 0.0 109.338 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.2 t -54.48 115.01 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.921 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.577 ' HG2' HD22 ' A' ' 58' ' ' LEU . 54.0 Cg_exo -54.69 -28.28 55.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.246 2.631 . . . . 0.0 112.462 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 61.1 t -59.33 -34.76 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 176.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.6 t -73.11 -38.43 55.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.117 0.484 . . . . 0.0 110.063 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' B' ' 29' ' ' ASP . 48.3 mm -65.96 -41.81 90.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.024 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -57.46 -42.64 82.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.235 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 88' ' ' SER . 68.4 mttm -58.31 -37.29 74.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.426 . . . . 0.0 110.98 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -71.03 -38.98 72.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.952 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.4 mt -71.62 -40.34 70.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.632 -178.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.93 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -80.98 -1.11 42.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.074 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.5 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 1.6 t -92.16 176.39 6.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.215 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 p 177.33 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.323 173.842 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.9 p90 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -74.16 -21.88 59.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.729 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.84 -47.94 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 109.838 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.29 54.23 3.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.424 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 51.8 tpp -109.6 143.63 39.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.578 0.227 . . . . 0.0 110.536 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -148.31 107.86 3.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.093 0.473 . . . . 0.0 109.931 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.21 -167.98 0.17 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.656 -175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.599 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 51.2 m 72.7 -41.94 0.52 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -57.32 -46.84 82.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.599 ' OE2' ' HA ' ' B' ' 25' ' ' THR . 41.1 mt-10 -57.72 -49.9 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.255 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.807 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 7.4 m-20 -88.71 -25.1 22.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 26' ' ' ALA . 43.0 t -60.4 -38.36 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 109.961 175.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -61.93 -28.74 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.741 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.807 ' HD3' ' HA ' ' B' ' 29' ' ' ASP . 2.9 mptm? -56.18 -55.72 29.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.805 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 pt -74.17 -34.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.74 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.44 -39.95 95.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.263 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' B' ' 39' ' ' LYS . 27.0 m -74.25 -36.07 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 0.0 110.412 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.8 72.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.599 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.841 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.1 pp -70.52 -24.29 62.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.305 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.559 ' HG ' ' HE2' ' B' ' 84' ' ' LYS . 7.9 tt -77.24 -36.19 54.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.197 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 35' ' ' THR . 48.6 mtpt -85.13 -44.68 12.76 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.242 -175.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.536 ' HB ' ' HG2' ' A' ' 57' ' ' LYS . 4.2 m -158.86 90.67 1.0 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.074 0.464 . . . . 0.0 109.988 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -123.67 -28.25 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.824 HG21 ' HA ' ' B' ' 56' ' ' CYS . 1.2 pp -104.69 175.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.94 147.0 32.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.605 0.717 . . . . 0.0 111.658 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 1.145 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -112.13 120.41 62.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.876 172.177 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.58 122.16 52.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.174 0.511 . . . . 0.0 110.262 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 11.4 p -80.57 153.23 28.17 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.216 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -72.15 178.07 4.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -50.12 -51.0 46.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.281 0.562 . . . . 0.0 109.53 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -171.63 107.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.951 168.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.96 -80.49 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.026 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.45 -161.23 12.43 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.702 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 1.145 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -145.38 153.35 41.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.311 -0.444 . . . . 0.0 110.389 -176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -133.21 110.99 10.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.756 0.312 . . . . 0.0 110.421 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASN . . . . . 0.456 ' HB3' ' CG1' ' B' ' 63' ' ' VAL . 30.4 t-20 -103.54 115.22 30.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -110.04 158.23 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.824 ' HA ' HG21 ' B' ' 42' ' ' ILE . 78.5 m -122.18 103.96 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.2 62.21 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.677 -174.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tp -162.72 -64.38 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.06 13.26 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.254 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.15 56.33 25.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.328 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.31 150.27 38.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -143.43 153.69 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 14.2 p -133.07 139.28 33.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 39.8 Cg_endo -68.0 0.03 4.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.93 2.42 . . . . 0.0 113.436 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' B' ' 66' ' ' LEU . 30.4 t-105 70.4 149.72 0.08 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.726 0.641 . . . . 0.0 110.752 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' B' ' 65' ' ' TRP . 53.1 tp 78.11 -47.42 0.46 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.365 0.666 . . . . 0.0 111.639 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -59.95 -43.68 94.87 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 109.935 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -163.2 159.77 23.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.966 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 177.242 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 121.042 0.449 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.5 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -107.97 -21.57 12.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.764 0.316 . . . . 0.0 111.257 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -91.36 -6.33 53.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.006 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 80.8 m -77.24 132.62 69.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.971 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -47.88 -44.32 27.47 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.805 3.003 . . . . 0.0 113.947 -175.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.652 HG13 HD13 ' B' ' 37' ' ' LEU . 78.1 t -58.4 -43.83 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.939 0.4 . . . . 0.0 110.851 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.475 HG12 HE22 ' B' ' 85' ' ' GLN . 4.6 t -74.22 -35.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.395 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.8 mm -52.81 -45.98 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.07 0.462 . . . . 0.0 110.096 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 -36.27 74.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.826 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' LYS . . . . . 0.559 ' HE2' ' HG ' ' B' ' 38' ' ' LEU . 90.9 mttt -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.475 HE22 HG12 ' B' ' 81' ' ' VAL . 1.1 mp0 -59.42 -37.11 77.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 74.5 mt -70.85 -46.91 66.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.55 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.74 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.5 pp -72.51 -14.13 61.58 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 67.5 m -79.21 55.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 111.345 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.631 176.15 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.1 165.91 25.05 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 m -139.01 102.08 4.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.964 0.382 . . . . 0.0 110.949 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t 68.8 163.27 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.458 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -161.8 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.61 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -115.75 146.68 41.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -87.59 111.03 20.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.822 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.497 ' C ' ' H ' ' A' ' 10' ' ' HIS . 32.6 m170 -86.62 1.84 50.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -76.2 36.87 0.15 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.843 0.83 . . . . 0.0 109.323 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' A' ' 8' ' ' HIS . 51.1 t-80 -96.31 -9.96 28.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.807 -175.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -54.77 101.19 0.04 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.624 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -107.76 87.84 2.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.863 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.83 66.99 0.35 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.964 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -91.39 145.06 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.674 0.273 . . . . 0.0 110.514 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' HB3' HD23 ' A' ' 17' ' ' LEU . 24.7 mm-40 -61.77 143.47 56.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.981 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -89.26 85.27 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 15' ' ' GLU . 2.6 mm? -115.42 -165.26 1.01 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -59.92 -60.75 3.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HZ ' ' HA ' ' B' ' 27' ' ' ALA . 63.8 m-85 -85.94 62.59 7.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 49.87 -101.53 0.09 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.765 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.24 57.77 4.24 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.936 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 16.5 ttt -75.59 93.58 3.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.981 0.896 . . . . 0.0 111.461 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -172.72 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.968 -1.469 . . . . 0.0 108.291 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -148.75 -35.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.227 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -72.71 -16.19 61.67 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.936 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -51.69 -42.3 62.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.862 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -29.69 59.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.871 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.679 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 35.8 mm-40 -68.71 -55.41 11.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.752 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.03 -44.05 87.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.799 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG12 HG21 ' A' ' 86' ' ' ILE . 55.0 t -68.3 -37.33 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 1.09 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 35.5 ttp-105 -67.21 -33.18 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 56.8 mttm -57.66 -48.64 78.91 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.147 0.499 . . . . 0.0 109.806 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.655 HG22 HD23 ' A' ' 37' ' ' LEU . 44.0 mt -60.04 -52.12 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.354 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.33 78.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.621 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -65.3 -46.21 81.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.489 . . . . 0.0 110.864 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.354 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.655 HD23 HG22 ' A' ' 33' ' ' ILE . 4.5 pp -65.39 -23.99 67.1 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -176.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.0 tt -80.12 -56.95 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 50.7 mtpt -59.98 -35.86 75.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -172.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.671 ' HB ' ' CB ' ' B' ' 57' ' ' LYS . 75.7 p -104.26 12.23 33.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.612 ' HB1' ' HD3' ' A' ' 57' ' ' LYS . . . -131.01 37.15 3.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.88 0.371 . . . . 0.0 111.073 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.76 123.59 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -106.34 128.5 54.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.463 0.649 . . . . 0.0 111.095 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 pt -82.69 112.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.815 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 m -92.36 127.67 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -98.93 123.54 43.28 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.531 0.681 . . . . 0.0 109.667 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.87 132.89 53.59 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.781 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.28 -22.71 35.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.407 0.622 . . . . 0.0 109.855 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -92.38 2.04 56.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.181 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.58 -102.75 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.017 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.29 -156.56 10.39 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.86 123.09 29.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.799 0.3 . . . . 0.0 110.415 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -121.67 143.33 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.548 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 49.0 t-20 -94.73 108.85 20.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.1 128.27 39.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 61' ' ' ALA . 79.4 m -73.22 152.69 40.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.772 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.612 ' HD3' ' HB1' ' A' ' 41' ' ' ALA . 42.8 pttt -38.0 -56.27 1.16 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD23 ' HD2' ' A' ' 79' ' ' PRO . 11.0 mp -92.38 15.02 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.0 m 63.56 11.56 5.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.507 0.323 . . . . 0.0 111.665 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.752 ' HA2' ' HB3' ' A' ' 75' ' ' ALA . . . -74.83 -10.24 83.45 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.751 -177.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB1' HG21 ' A' ' 72' ' ' ILE . . . -152.58 132.39 13.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -136.3 134.96 38.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.867 0.365 . . . . 0.0 110.332 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 8.7 p -144.7 141.91 18.29 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.239 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.16 146.98 8.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.553 2.169 . . . . 0.0 112.162 173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -65.94 -9.2 27.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.528 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.49 -21.48 66.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.183 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 65.03 96.61 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.897 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -99.88 -43.42 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.06 -50.88 4.38 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.701 171.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.98 -55.95 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.782 0.325 . . . . 0.0 111.467 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -90.1 93.96 9.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.63 0.728 . . . . 0.0 111.045 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.491 HG21 ' HB1' ' A' ' 61' ' ' ALA . 61.2 mt -137.23 139.89 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.143 176.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -71.96 -170.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.06 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.414 ' HE2' ' HB1' ' A' ' 95' ' ' ALA . 8.5 p80 -143.76 130.53 20.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.745 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.752 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -75.06 109.2 8.34 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' HA ' HG11 ' A' ' 81' ' ' VAL . 21.9 t70 -65.52 -30.55 71.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.17 -167.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.28 -23.64 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.471 . . . . 0.0 111.447 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 75.5 m -83.69 140.51 41.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.955 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 27.6 Cg_exo -63.52 0.77 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.508 2.805 . . . . 0.0 113.047 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.426 HG21 ' HA3' ' A' ' 60' ' ' GLY . 46.5 t -64.19 -30.19 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.911 0.386 . . . . 0.0 110.265 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG11 ' HA ' ' A' ' 76' ' ' ASP . 29.1 m -57.36 -47.3 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.004 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.529 ' O ' HG13 ' A' ' 86' ' ' ILE . 10.6 tp -72.35 -36.77 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 110.52 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.257 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.11 -44.94 94.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.848 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -57.97 -37.49 74.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.416 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.67 HG12 ' HE1' ' B' ' 19' ' ' PHE . 75.5 mt -73.95 -50.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.628 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.09 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -76.88 -13.49 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -91.94 -60.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.6 p 50.42 29.27 3.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.031 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -131.87 134.44 25.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.719 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.87 100.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.099 2.533 . . . . 0.0 112.786 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -157.69 146.8 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 tp 66.35 106.73 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.632 0.583 . . . . 0.0 111.873 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -87.6 -33.23 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.178 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' HB1' ' HE2' ' A' ' 74' ' ' HIS . . . 47.72 84.68 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 173.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.435 178.075 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ptp . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.55 -69.15 2.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.767 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m 69.52 -69.1 0.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.261 0.624 . . . . 0.0 112.318 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.4 p -85.34 83.68 7.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.033 0.444 . . . . 0.0 111.62 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' B' ' 6' ' ' HIS . 11.3 p80 -131.76 2.24 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 5' ' ' HIS . 8.7 t-160 175.08 46.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.466 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -131.64 153.96 49.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.572 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -114.76 83.68 1.94 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.044 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 67.86 118.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.559 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -73.14 -43.58 61.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -172.95 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.027 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m 61.33 -166.02 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.877 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.41 -154.26 8.58 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.42 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -155.34 178.6 10.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.684 0.242 . . . . 0.0 110.762 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 60.09 72.44 0.52 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.928 0.767 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' B' ' 20' ' ' GLN . 40.1 m-80 -144.26 -75.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.459 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -123.18 -175.3 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.626 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -58.81 -50.99 71.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.694 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.67 ' HE1' HG12 ' A' ' 86' ' ' ILE . 19.8 m-85 -101.89 65.9 1.02 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.201 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' B' ' 16' ' ' ASN . 36.8 tt0 61.56 -90.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.35 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.59 -36.85 4.69 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.72 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 22.6 ttt 70.55 -31.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.167 0.987 . . . . 0.0 113.098 173.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -67.19 -15.07 63.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.927 0.394 . . . . 0.0 110.942 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -149.19 -49.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.28 -13.2 61.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.72 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -60.74 -40.31 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 111.614 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HA ' ' HZ ' ' A' ' 19' ' ' PHE . . . -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.199 -171.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.03 -50.83 66.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.696 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.85 -35.69 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 26' ' ' ALA . 74.2 t -63.19 -44.85 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.21 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.092 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' B' ' 31' ' ' ARG . 57.5 tptt -63.77 -50.58 68.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.576 0.227 . . . . 0.0 110.389 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.82 -28.15 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.745 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 83' ' ' ALA . . . -68.64 -32.83 72.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 176.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -69.4 -29.31 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.4 -24.87 47.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.317 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' B' ' 41' ' ' ALA . 82.1 mt -60.27 -44.63 95.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.542 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 38' ' ' LEU . 6.4 mp -78.72 -25.98 44.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.238 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.39 -52.46 64.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.629 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.414 HG21 ' HB2' ' A' ' 57' ' ' LYS . 10.0 t -152.67 -12.92 0.17 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -70.89 -32.88 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.999 -0.438 . . . . 0.0 111.067 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -85.73 129.51 37.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.597 ' HG2' ' HE3' ' B' ' 57' ' ' LYS . 15.3 pt-20 -163.65 -179.0 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.423 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 24.7 pt -99.41 136.31 31.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.937 0.398 . . . . 0.0 111.244 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 m -88.23 139.82 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -78.05 150.29 33.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.266 0.555 . . . . 0.0 111.26 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.407 ' HB2' ' C ' ' B' ' 51' ' ' GLY . 2.2 mm-40 -89.1 170.8 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.695 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -95.82 -28.14 14.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.5 -61.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.718 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.47 68.6 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.77 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' B' ' 47' ' ' GLU . . . -178.22 -141.96 4.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' B' ' 44' ' ' ILE . . . -162.56 172.15 15.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.66 138.82 47.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 48.6 t-20 -83.86 106.58 15.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.222 0.534 . . . . 0.0 111.032 -175.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.55 154.68 38.51 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 164.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.671 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -67.21 -3.43 7.75 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.044 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.479 ' HB2' ' SG ' ' B' ' 78' ' ' CYS . 5.2 mp -128.66 -96.75 0.39 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 172.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.935 ' HB2' ' HB2' ' B' ' 78' ' ' CYS . 47.8 m -144.26 6.01 1.29 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 178.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLY . . . . . 0.465 ' HA2' HG23 ' B' ' 81' ' ' VAL . . . -63.03 -22.69 65.1 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.072 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.434 ' HB1' ' CD1' ' B' ' 72' ' ' ILE . . . -155.9 139.8 16.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' B' ' 73' ' ' LYS . 7.3 t -166.45 133.5 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.615 0.245 . . . . 0.0 110.614 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 9.1 p -176.81 149.18 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 90.6 Cg_exo -45.03 127.18 8.38 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 121.999 1.8 . . . . 0.0 111.145 169.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.537 ' HA ' ' HB2' ' B' ' 54' ' ' ASN . 30.4 p-90 -59.85 -28.35 67.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.27 -169.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.86 17.34 22.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.228 0.537 . . . . 0.0 110.721 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' B' ' 68' ' ' THR . 52.8 tt0 -111.89 113.27 25.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.466 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.655 HG23 ' H ' ' B' ' 69' ' ' GLY . 3.8 t 45.95 -83.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.793 1.237 . . . . 0.0 113.715 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.655 ' H ' HG23 ' B' ' 68' ' ' THR . . . 86.94 -9.57 71.67 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.589 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.5 -62.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -97.76 69.43 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.605 0.717 . . . . 0.0 109.506 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.434 ' CD1' ' HB1' ' B' ' 61' ' ' ALA . 18.5 tt -59.33 132.69 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.109 -174.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' B' ' 62' ' ' SER . 81.8 tttt -68.26 146.65 53.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.143 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -124.54 139.29 54.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.336 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.698 ' HB3' ' HB3' ' B' ' 59' ' ' CYS . . . -103.06 114.71 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.59 1.82 15.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -164.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.98 -2.53 37.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.075 0.464 . . . . 0.0 110.45 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.935 ' HB2' ' HB2' ' B' ' 59' ' ' CYS . 50.5 t -110.41 134.5 20.81 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.783 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.59 ' O ' HG22 ' B' ' 82' ' ' ILE . 23.2 Cg_exo -65.51 -6.21 13.16 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.269 2.646 . . . . 0.0 113.047 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.647 HG13 HD13 ' B' ' 37' ' ' LEU . 94.4 t -75.39 -29.71 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.2 0.524 . . . . 0.0 110.235 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.465 HG23 ' HA2' ' B' ' 60' ' ' GLY . 63.9 t -70.25 -38.73 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.59 HG22 ' O ' ' B' ' 79' ' ' PRO . 7.2 tp -57.24 -36.97 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.138 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 34' ' ' ALA . . . -59.09 -44.23 91.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.146 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.14 -44.15 92.06 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.048 0.452 . . . . 0.0 110.323 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.08 -36.24 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.8 mt -60.54 -50.94 78.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.93 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.68 -16.96 61.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -84.57 -31.13 24.51 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.651 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.548 ' O ' ' HG2' ' B' ' 90' ' ' ARG . 50.0 m -71.31 -53.41 14.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.815 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' B' ' 89' ' ' SER . 31.1 ptt180 55.22 163.74 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.767 0 O-C-N 124.783 1.302 . . . . 0.0 113.581 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.12 127.42 18.37 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.372 2.048 . . . . 0.0 111.164 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -103.72 126.43 50.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.034 0.445 . . . . 0.0 111.561 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.41 108.18 19.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -92.41 105.69 17.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.06 155.18 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.477 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.979 176.854 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.607 0.241 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.89 119.01 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.216 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -101.38 2.74 39.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.541 . . . . 0.0 110.613 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.0 t -111.07 124.64 52.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -146.57 142.28 27.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.765 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 9' ' ' HIS . 20.8 m-70 -82.44 149.17 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.33 -11.83 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.546 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 93.5 m-70 -125.09 -68.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.739 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 6' ' ' HIS . 44.3 p-80 47.41 42.39 14.11 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.553 0.692 . . . . 0.0 111.302 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.6 t60 68.06 31.68 5.34 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.092 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -86.37 -6.65 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 109.341 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -147.12 171.46 15.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.132 176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.8 64.52 0.82 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.383 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -87.52 -6.79 58.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.44 160.66 33.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.068 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -118.19 139.13 51.73 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -127.06 -169.64 2.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.936 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.546 ' OE1' ' HB2' ' A' ' 8' ' ' HIS . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 1.119 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.731 HG23 HG23 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.63 106.38 19.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 m -97.21 160.4 14.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.241 -171.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.73 143.57 26.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.019 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.799 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -99.99 -34.1 10.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.92 -122.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.509 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.83 -167.17 12.38 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.269 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -79.66 147.71 31.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.111 0.482 . . . . 0.0 111.506 -176.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.52 133.24 34.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.673 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 23.8 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.673 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 94.36 174.64 38.85 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.9 t70 70.73 -56.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.328 0.564 . . . . 0.0 111.424 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -75.82 71.32 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.736 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.3 pt -131.59 106.53 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.334 0.587 . . . . 0.0 111.07 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.6 103.52 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.775 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 61' ' ' ALA . 11.5 t-160 -108.0 -7.49 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 -178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HA ' HG21 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.657 HD11 HD22 ' B' ' 16' ' ' ASN . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.119 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 52.3 mtt180 53.83 80.9 0.27 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.85 -168.69 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.317 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -72.58 81.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.752 . . . . 0.0 110.438 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -143.6 138.62 29.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.32 105.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.149 0.5 . . . . 0.0 111.536 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.01 134.69 22.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.739 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.233 -177.792 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.82 41.93 0.21 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.92 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -84.22 80.71 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 111.552 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 12.0 m -77.96 110.37 12.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -129.01 111.09 12.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -122.54 146.32 47.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -80.43 167.86 19.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -153.81 107.2 2.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 0.0 109.999 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -109.86 12.36 23.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -122.69 112.15 17.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.873 0.368 . . . . 0.0 110.968 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -148.43 118.63 7.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.685 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -146.05 83.33 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.25 0.548 . . . . 0.0 110.543 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.44 54.29 0.72 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.94 -28.65 60.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.848 0.356 . . . . 0.0 111.448 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -99.71 104.27 15.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.306 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.657 HD22 HD11 ' A' ' 82' ' ' ILE . 44.1 t-20 -144.87 117.37 8.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.046 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.1 67.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 66.52 145.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 170.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.512 ' HG2' ' HB2' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.936 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.635 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.435 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.802 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.497 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.555 HG21 HD13 ' B' ' 72' ' ' ILE . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.63 -29.96 8.56 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' OD2' ' HG2' ' B' ' 73' ' ' LYS . 21.3 t70 66.61 10.23 7.25 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 111.208 173.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.68 9.1 0.76 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.168 0.987 . . . . 0.0 112.831 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.555 HD13 HG21 ' B' ' 63' ' ' VAL . 44.0 mm 62.18 100.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.197 0.311 . . . . 0.0 110.59 -175.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 31.6 mmtp -59.04 126.1 26.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.319 0.581 . . . . 0.0 109.912 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -144.23 166.47 24.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.024 -163.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.537 ' HB2' HG23 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG22 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.587 HG13 HD13 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.513 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.592 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p -71.67 92.64 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 37.0 ptt180 -157.75 136.3 7.75 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.984 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 4.8 Cg_exo -74.82 92.6 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.555 2.17 . . . . 0.0 111.172 175.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -84.64 98.99 10.5 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt -121.96 87.81 2.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.537 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -138.91 91.43 2.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.76 108.96 17.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.76 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.253 1.256 0 O-C-N 123.744 0.653 . . . . 0.0 110.931 -177.607 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.94 115.95 1.47 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -71.43 96.82 1.53 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.13 0.49 . . . . 0.0 111.84 -173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.1 t -83.75 82.1 8.47 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 174.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -61.74 135.12 57.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.913 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 66.76 101.41 0.05 OUTLIER 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.783 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -58.06 146.71 32.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.387 0.613 . . . . 0.0 111.354 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -156.44 165.49 36.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.937 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -105.75 104.92 14.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.819 0.342 . . . . 0.0 111.428 -174.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -115.35 28.25 8.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.308 172.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -69.11 85.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.233 0.539 . . . . 0.0 110.238 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 t -91.95 107.0 18.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.321 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 -137.69 11.86 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.175 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -113.03 38.27 2.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.637 0.732 . . . . 0.0 110.144 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.53 2.41 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.045 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.79 ' HB2' HG22 ' A' ' 23' ' ' THR . 28.1 p-10 -88.19 29.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.775 -172.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -104.17 -84.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 0.0 112.103 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -81.89 175.31 10.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.323 -172.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -61.58 164.76 5.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.187 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 77.36 -15.4 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.924 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.81 -101.12 1.46 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.69 ' HA ' ' HA ' ' A' ' 16' ' ' ASN . 11.7 ptp 50.57 -167.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.602 1.161 . . . . 0.0 113.72 173.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.79 HG22 ' HB2' ' A' ' 16' ' ' ASN . 15.2 t -177.87 -159.82 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.289 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.1 -25.26 61.11 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.586 ' H ' HG23 ' A' ' 23' ' ' THR . 6.5 m -58.04 -35.64 71.6 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.701 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -66.49 -22.32 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.54 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.61 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' HG3' ' HE3' ' A' ' 32' ' ' LYS . 8.4 tp10 -69.49 -46.34 66.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.7 m-20 -69.6 -39.88 77.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.301 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' ALA . 52.6 t -65.89 -33.21 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.131 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 33.0 ttm180 -59.28 -46.68 87.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 173.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HE3' ' HG3' ' A' ' 28' ' ' GLU . 85.2 mttt -53.63 -54.55 36.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.232 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.75 -34.7 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.623 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -66.93 -31.67 72.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 0.0 110.698 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.1 m -61.38 -29.09 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.431 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' B' ' 79' ' ' PRO . . . -54.46 -26.95 34.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.769 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.81 -34.0 75.15 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.77 -24.47 60.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -75.74 -38.67 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.385 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 t -142.45 -25.11 0.65 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.29 -33.39 49.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.02 -0.425 . . . . 0.0 111.008 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.445 HD12 ' SG ' ' A' ' 56' ' ' CYS . 12.7 mm -123.4 91.78 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.528 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -148.2 169.48 19.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.123 0.487 . . . . 0.0 111.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 44' ' ' ILE . 26.1 pt -96.32 121.38 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.783 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.16 137.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -88.28 136.78 32.82 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.72 158.47 28.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.11 -35.56 81.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -163.1 128.34 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.72 170.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.16 -32.63 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.088 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.54 -138.69 7.34 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.111 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.74 157.09 43.61 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -126.8 122.34 34.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -84.72 114.36 21.98 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -121.17 149.03 43.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.4 0.619 . . . . 0.0 111.515 -172.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.574 ' SG ' HG21 ' A' ' 72' ' ' ILE . 70.9 m -114.57 101.27 8.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.909 169.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -67.26 -16.09 64.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' B' ' 41' ' ' ALA . 10.9 mp -81.85 15.57 2.18 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.691 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -161.76 -39.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.958 0.408 . . . . 0.0 110.585 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.47 7.6 39.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.407 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.72 137.6 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -149.92 127.2 11.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.807 0.336 . . . . 0.0 110.461 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG22 ' HD2' ' A' ' 64' ' ' PRO . 4.4 p -130.05 146.26 60.68 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.457 ' HD2' HG22 ' A' ' 63' ' ' VAL . 85.6 Cg_exo -48.91 139.92 24.52 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.291 1.994 . . . . 0.0 111.71 172.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 11.5 p-90 -62.51 167.76 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -176.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 65' ' ' TRP . 10.1 tt 79.17 -43.36 0.31 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.54 0.736 . . . . 0.0 111.7 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.29 155.84 20.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -86.24 -46.83 9.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.642 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.9 57.63 10.54 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 63.32 -86.31 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.976 0.51 . . . . 0.0 109.939 -171.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 72' ' ' ILE . 35.2 mt-10 -143.19 38.49 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.274 173.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.574 HG21 ' SG ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 79.03 1.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.381 1.073 . . . . 0.0 110.738 -178.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 tptt 70.12 118.45 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.136 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.506 ' CD2' HG22 ' A' ' 72' ' ' ILE . 4.6 m-70 -134.53 142.27 46.96 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.447 -0.501 . . . . 0.0 112.068 -178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.99 165.5 13.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.908 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -73.73 -26.47 60.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.363 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.25 -13.81 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.484 ' O ' HG22 ' A' ' 81' ' ' VAL . 30.3 p -78.09 131.97 68.24 Favored Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.57 -174.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 16.5 Cg_exo -67.9 -0.33 5.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.979 2.453 . . . . 0.0 112.371 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 36.1 t -67.34 -34.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.499 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 78' ' ' CYS . 19.5 m -59.38 -43.67 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp -75.96 -39.69 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -49.31 74.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.671 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 53.7 mtpt -54.68 -51.96 63.87 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -49.82 -39.73 39.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.645 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.4 -51.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.645 0.26 . . . . 0.0 111.695 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' HB1' ' A' ' 34' ' ' ALA . 4.6 pp -71.35 -19.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.61 0.243 . . . . 0.0 111.632 -174.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -93.08 -39.82 10.86 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m 60.63 21.66 11.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.603 0.716 . . . . 0.0 110.055 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.851 ' HG3' ' HD2' ' A' ' 91' ' ' PRO . 1.8 ttm180 -85.12 139.77 36.76 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.787 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.851 ' HD2' ' HG3' ' A' ' 90' ' ' ARG . 66.0 Cg_exo -25.14 105.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 125.127 3.885 . . . . 0.0 114.654 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -91.54 95.43 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.984 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 95' ' ' ALA . 60.6 tp -79.71 102.57 9.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 72.98 -24.86 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.848 0.718 . . . . 0.0 112.334 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 93' ' ' LEU . . . 70.74 165.42 0.28 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.842 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.115 -178.194 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.26 22.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.918 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -70.16 157.12 38.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.493 0.187 . . . . 0.0 110.919 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' B' ' 5' ' ' HIS . 70.0 m 63.7 -158.59 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' B' ' 4' ' ' SER . 72.3 m80 78.79 -35.56 0.17 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.41 0.684 . . . . 0.0 110.817 -178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.6 p80 41.67 89.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.586 1.154 . . . . 0.0 113.351 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.07 38.92 3.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.702 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -73.86 98.36 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.91 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -152.59 140.58 20.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.039 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.473 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 44.3 t-80 -158.08 116.95 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.339 172.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -124.32 127.86 48.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.34 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -103.75 137.42 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.418 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.28 -135.7 4.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.438 ' HB3' ' H ' ' B' ' 15' ' ' GLU . 19.6 mmt180 62.68 -155.78 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.015 0.526 . . . . 0.0 111.306 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.438 ' H ' ' HB3' ' B' ' 14' ' ' ARG . 38.9 mt-10 -114.52 -179.61 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.786 -174.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -92.83 96.71 10.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.919 0.39 . . . . 0.0 110.644 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.15 -170.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.256 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.91 -55.03 26.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.875 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' B' ' 20' ' ' GLN . 40.9 m-85 -84.46 -5.82 59.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.981 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.487 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 7.8 tp60 76.0 135.8 0.06 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.125 0.89 . . . . 0.0 109.521 -169.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.45 -91.72 1.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.03 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' MET . . . . . 1.027 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 37.1 ttm 64.81 179.21 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.848 0.459 . . . . 0.0 110.449 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 33.1 p 52.93 89.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.318 0.647 . . . . 0.0 111.844 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 23' ' ' THR . 27.0 m-20 73.84 -60.67 0.52 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.964 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.1 m -61.52 -22.06 64.79 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.607 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 1.027 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -55.24 -32.02 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.011 0.434 . . . . 0.0 111.368 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' B' ' 31' ' ' ARG . . . -73.17 -27.31 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' B' ' 10' ' ' HIS . 0.5 OUTLIER -68.05 -50.93 52.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -174.501 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.451 ' O ' HG13 ' B' ' 33' ' ' ILE . 3.5 m-20 -66.59 -45.9 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.64 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.24 -36.76 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.45 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 27.7 ttm180 -58.79 -44.88 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.033 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.9 -45.59 93.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.306 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 29' ' ' ASP . 27.0 mt -62.29 -41.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.009 0.433 . . . . 0.0 110.172 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.514 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.78 -31.73 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.425 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -64.64 -30.76 71.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.17 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.017 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.625 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 23.9 mt -65.83 -38.15 88.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.668 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.12 -25.77 42.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' B' ' 40' ' ' THR . 29.2 mmmt -76.72 -58.48 3.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.757 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 39' ' ' LYS . 13.5 t 179.77 37.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.558 0.694 . . . . 0.0 111.684 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.696 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -62.54 -28.62 69.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.391 0.615 . . . . 0.0 110.381 174.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.979 HD13 ' HA ' ' B' ' 56' ' ' CYS . 13.1 mt -99.37 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.41 ' H ' HG22 ' B' ' 42' ' ' ILE . 37.4 tt0 -103.69 148.29 26.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.499 0.666 . . . . 0.0 111.03 -173.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.531 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 36.2 mm -87.22 114.31 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.065 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 53' ' ' HIS . 4.9 m -89.81 106.3 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 33.7 p -101.67 140.79 35.49 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.629 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.86 140.86 29.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.3 -58.42 5.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.304 0.574 . . . . 0.0 110.972 -174.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -132.0 105.58 7.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.506 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.29 -46.68 0.29 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.785 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.4 159.65 8.87 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.712 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -92.57 153.02 19.29 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.437 ' HB2' HG23 ' B' ' 45' ' ' VAL . 93.3 m-70 -135.58 142.54 45.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.603 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.968 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 49.7 t-20 -105.18 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -108.5 100.81 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.145 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.979 ' HA ' HD13 ' B' ' 42' ' ' ILE . 58.3 m -59.26 104.23 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.474 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.46 -1.06 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.184 -170.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.476 HD22 HG23 ' B' ' 80' ' ' VAL . 6.3 mp -115.72 -57.31 2.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.011 -0.431 . . . . 0.0 111.859 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 7.5 p -82.89 -5.46 59.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.79 64.16 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.833 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.437 ' H ' ' HB2' ' B' ' 56' ' ' CYS . . . -108.41 160.11 16.14 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.707 -0.29 . . . . 0.0 110.594 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -124.55 129.27 50.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 0.0 110.411 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.968 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 58.8 t -100.57 130.46 25.53 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.244 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 20.8 Cg_exo -67.86 5.34 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.591 2.861 . . . . 0.0 113.563 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.648 ' H ' HG12 ' B' ' 63' ' ' VAL . 49.0 t90 75.51 147.85 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.49 0.716 . . . . 0.0 111.287 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp 63.41 24.99 14.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.227 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -152.56 148.19 27.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.772 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -59.37 -32.22 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.571 0.544 . . . . 0.0 112.231 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.09 -23.67 30.06 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 61.66 36.99 16.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 114.857 -0.672 . . . . 0.0 111.563 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 53.06 59.04 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.974 0.892 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.509 HG12 ' N ' ' B' ' 73' ' ' LYS . 14.1 tt -63.01 170.75 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.212 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.509 ' N ' HG12 ' B' ' 72' ' ' ILE . 75.0 mmtt -43.58 127.75 4.94 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.039 0.536 . . . . 0.0 111.112 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -144.77 140.35 28.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.113 -169.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.27 122.61 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.55 ' HA ' HG21 ' B' ' 81' ' ' VAL . 25.1 t70 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 111.388 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -92.12 -6.49 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.834 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.539 ' O ' HG22 ' B' ' 81' ' ' VAL . 27.3 p -88.1 152.7 50.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.906 -176.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 36' ' ' ALA . 39.7 Cg_exo -61.73 -28.81 82.52 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.84 2.36 . . . . 0.0 112.738 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.476 HG23 HD22 ' B' ' 58' ' ' LEU . 60.8 t -59.99 -46.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.549 -176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.55 HG21 ' HA ' ' B' ' 76' ' ' ASP . 34.6 m -68.01 -36.94 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.33 -176.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.453 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.9 mm -54.68 -50.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.232 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.29 94.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -61.6 -36.33 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.605 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -73.65 -34.45 64.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.859 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.9 mt -74.95 -40.28 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.514 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.5 pp -71.09 -11.4 60.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.77 0.319 . . . . 0.0 111.519 -177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -81.42 66.19 6.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 0.0 110.305 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.0 149.21 28.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 59.71 85.7 0.17 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-O 121.344 0.592 . . . . 0.0 110.164 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -77.01 118.44 4.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.977 2.452 . . . . 0.0 112.311 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.8 -8.73 7.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.449 0.642 . . . . 0.0 109.795 173.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' B' ' 94' ' ' HIS . 27.5 tp -103.36 173.24 6.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.056 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.431 ' H ' ' HG ' ' B' ' 93' ' ' LEU . 30.9 t-80 68.79 37.14 2.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.879 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.39 118.39 22.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.387 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.245 0.853 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.567 178.122 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 tpp . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.82 134.96 35.09 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 p -146.54 138.37 24.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.408 ' HB3' ' HD3' ' A' ' 84' ' ' LYS . 6.6 t 72.72 144.34 0.07 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.198 173.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -156.84 119.31 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.223 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t60 65.43 106.22 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.408 0.623 . . . . 0.0 111.75 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -102.75 155.19 18.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -153.63 -166.48 2.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.634 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 76.56 115.88 0.06 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.079 0.862 . . . . 0.0 110.142 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -89.01 96.05 10.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.609 0.719 . . . . 0.0 111.054 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 m -94.47 131.72 39.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.527 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -160.55 140.51 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.75 148.69 15.79 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -100.09 85.57 3.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.333 0.587 . . . . 0.0 111.104 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -156.9 150.41 24.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.336 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' HA ' ' OD2' ' A' ' 29' ' ' ASP . 4.3 t-20 -145.42 102.36 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -134.08 130.52 37.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.478 ' OH ' ' HA ' ' B' ' 86' ' ' ILE . 52.0 t80 -90.63 84.44 5.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.758 0.789 . . . . 0.0 112.017 -174.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 87.5 m-85 60.73 -178.13 0.11 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.691 -1.595 . . . . 0.0 113.942 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 64.98 -76.04 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.615 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.53 3.91 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 26' ' ' ALA . 95.8 mmm -87.67 120.19 28.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 111.48 -175.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -146.39 134.83 21.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.725 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 63.62 -81.12 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.401 0.68 . . . . 0.0 112.431 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.2 m -75.72 2.13 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.566 0.698 . . . . 0.0 110.713 -174.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 22' ' ' MET . . . -56.86 -36.68 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.683 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.45 71.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 14.6 mm-40 -61.26 -52.12 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.285 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 16.8 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 0.0 111.636 -174.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.03 -46.56 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.606 0.241 . . . . 0.0 111.225 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -64.89 -27.4 68.84 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 15.1 ttmm -52.19 -48.95 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.516 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.584 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 22.8 mt -65.16 -45.29 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.111 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.8 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.876 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 m -64.09 -42.29 96.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB1' HD11 ' B' ' 58' ' ' LEU . . . -63.23 -45.02 93.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.42 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.69 -27.23 61.96 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 tp -72.02 -26.24 62.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.375 0.607 . . . . 0.0 110.424 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -91.45 -10.96 39.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.956 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.513 ' O ' HG12 ' A' ' 42' ' ' ILE . 32.0 p -131.34 -100.21 0.3 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.31 -66.07 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.157 0.983 . . . . 0.0 112.906 -176.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.655 HD12 HD21 ' A' ' 54' ' ' ASN . 13.0 pt -71.49 175.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.922 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.3 145.29 24.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.799 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.2 pt -114.87 112.37 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 121.12 0.486 . . . . 0.0 111.51 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG22 ' NE2' ' A' ' 55' ' ' GLN . 23.3 m -102.76 147.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 33.0 t -121.5 140.73 51.82 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.205 0.526 . . . . 0.0 110.778 -174.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -88.68 171.17 10.19 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.8 -64.67 0.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.311 0.577 . . . . 0.0 110.332 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -118.53 5.1 11.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.482 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.69 -28.82 45.52 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.27 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.29 165.46 22.89 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.019 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -82.87 132.46 35.16 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.944 0.402 . . . . 0.0 110.113 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -115.94 134.1 55.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.059 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.655 HD21 HD12 ' A' ' 42' ' ' ILE . 50.6 t-20 -93.94 115.53 27.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.566 ' NE2' HG22 ' A' ' 45' ' ' VAL . 3.0 mp0 -96.71 112.41 24.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.81 0.338 . . . . 0.0 111.696 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.442 ' HA ' HG22 ' A' ' 42' ' ' ILE . 84.7 m -79.89 96.4 6.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 171.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -48.01 -52.02 21.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.852 -170.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.667 HD23 ' HD2' ' A' ' 79' ' ' PRO . 8.5 mp -63.04 -47.14 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.7 p -95.29 -2.59 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.618 -174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.52 31.52 81.03 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.97 51.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.699 0.285 . . . . 0.0 110.575 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 p -111.89 130.48 55.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.515 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.2 p -130.48 138.29 32.71 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.919 -177.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.48 144.85 39.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.566 2.177 . . . . 0.0 112.468 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -62.23 -8.68 6.09 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.394 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.84 -17.08 61.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.641 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -101.35 175.32 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 111.037 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.47 ' HB ' ' HG2' ' A' ' 71' ' ' GLU . 11.5 m -79.65 -21.3 44.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.133 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.584 ' O ' HG22 ' A' ' 72' ' ' ILE . . . 101.02 -54.53 0.82 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.577 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.518 ' HA ' ' HE1' ' A' ' 74' ' ' HIS . 32.4 t70 -72.1 -14.59 61.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.079 0.466 . . . . 0.0 110.87 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' HG2' ' HB ' ' A' ' 68' ' ' THR . 12.2 mm-40 -65.45 -30.7 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.92 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 69' ' ' GLY . 16.9 tt -70.14 140.45 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 32.4 mmtp -66.89 110.13 3.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.412 0.625 . . . . 0.0 111.271 -174.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.518 ' HE1' ' HA ' ' A' ' 70' ' ' ASP . 69.1 m80 -86.6 148.1 25.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.365 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.34 153.64 42.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.88 -13.9 58.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.21 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.95 0.66 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.354 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.574 ' O ' HG22 ' A' ' 81' ' ' VAL . 63.1 m -91.98 114.64 62.7 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.293 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.667 ' HD2' HD23 ' A' ' 58' ' ' LEU . 19.1 Cg_endo -59.45 -3.69 2.03 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.261 2.641 . . . . 0.0 114.195 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.541 HG23 HD22 ' A' ' 58' ' ' LEU . 77.5 t -63.39 -31.92 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.247 176.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 78' ' ' CYS . 27.9 m -63.4 -36.59 76.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.08 0.467 . . . . 0.0 110.506 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.6 mm -67.33 -45.8 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.15 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.81 81.3 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.246 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.408 ' HD3' ' HB3' ' A' ' 4' ' ' SER . 98.2 mttt -57.73 -46.72 84.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.104 0.478 . . . . 0.0 110.671 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.83 ' HB3' ' HD3' ' A' ' 90' ' ' ARG . 40.4 mt-30 -62.35 -30.51 71.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' ILE . 62.5 mt -74.97 -49.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.233 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.87 -14.96 60.28 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -99.38 9.44 43.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 110.666 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.1 p 48.56 74.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.348 0.659 . . . . 0.0 112.409 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.83 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 29.7 ptt180 -68.14 138.99 92.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.239 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -92.64 -171.42 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.99 2.46 . . . . 0.0 111.908 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.48 110.69 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.8 tp -146.27 138.92 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.714 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -85.08 74.95 10.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.079 0.466 . . . . 0.0 110.219 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.26 26.03 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.56 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.939 -178.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.75 0.31 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.28 60.13 0.12 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.836 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -136.43 120.55 17.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.813 0.34 . . . . 0.0 110.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.8 t -111.12 175.3 5.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -142.16 156.34 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 71.98 114.09 0.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.954 0.784 . . . . 0.0 111.729 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -70.13 119.16 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.865 173.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -81.6 76.82 8.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.589 0.709 . . . . 0.0 110.343 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -135.27 91.67 2.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.253 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.518 ' HB3' HG23 ' B' ' 35' ' ' THR . 40.7 t-80 -123.13 97.13 5.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.069 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.598 ' HB3' ' HD2' ' B' ' 92' ' ' LYS . 13.2 t -85.26 103.91 14.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.066 0.46 . . . . 0.0 110.432 -178.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -151.71 120.51 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.308 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.01 -117.96 0.42 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.59 ' HG2' ' H ' ' B' ' 15' ' ' GLU . 24.9 ttt180 69.93 -178.84 0.22 Allowed 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.9 0.412 . . . . 0.0 110.664 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.59 ' H ' ' HG2' ' B' ' 14' ' ' ARG . 2.0 mp0 -60.89 117.04 4.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -86.54 178.0 7.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.583 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -115.63 -125.65 0.29 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.689 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.44 ' HD2' ' H ' ' B' ' 20' ' ' GLN . 51.8 t80 -179.19 163.84 1.33 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -176.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' B' ' 22' ' ' MET . 18.5 m-85 -54.18 -40.43 67.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.44 ' H ' ' HD2' ' B' ' 18' ' ' TYR . 24.4 tt0 -72.95 116.3 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.86 -68.68 1.72 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -167.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.543 ' HB2' ' O ' ' B' ' 19' ' ' PHE . 9.0 ttt 64.83 -75.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.935 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 34.7 p 45.56 -87.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -126.14 -54.94 1.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -167.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -61.87 -15.4 42.14 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.64 67.52 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.004 -0.435 . . . . 0.0 111.259 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.15 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 109.4 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.778 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 33.9 mt-10 -78.03 -31.49 50.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.399 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.22 -52.66 63.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.27 0.557 . . . . 0.0 109.964 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -45.81 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.753 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.778 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 27.6 ptt180 -66.24 -29.15 69.34 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.203 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -61.58 -40.13 93.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.047 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 79' ' ' PRO . 46.8 mt -77.55 -41.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.083 0.468 . . . . 0.0 110.249 177.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.661 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.36 -31.25 65.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.518 HG23 ' HB3' ' B' ' 10' ' ' HIS . 97.1 m -54.64 -30.55 55.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.43 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.35 80.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.5 pp -73.87 -24.59 59.75 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.62 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.763 HD11 HD22 ' B' ' 87' ' ' LEU . 95.2 mt -70.46 -30.94 67.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.347 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' B' ' 39' ' ' LYS . 39.8 mtpt -74.02 -57.9 3.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 176.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -165.59 89.91 0.46 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 122.263 1.03 . . . . 0.0 112.146 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -114.74 -4.67 12.7 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.617 166.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -71.1 141.08 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.924 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.688 ' HB2' ' HE3' ' B' ' 57' ' ' LYS . 19.4 tt0 -102.46 137.49 40.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.445 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' B' ' 54' ' ' ASN . 26.5 mm -124.58 116.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.286 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' B' ' 53' ' ' HIS . 7.1 m -105.58 105.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.784 169.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.654 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.6 m -85.61 125.29 33.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.088 -174.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.33 152.44 34.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.731 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -38.09 53.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.083 0.468 . . . . 0.0 110.797 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -104.69 -44.93 4.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.28 -9.34 85.75 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.502 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.79 170.39 44.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.062 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.654 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -66.45 135.95 55.0 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 171.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.526 ' HB2' HG23 ' B' ' 45' ' ' VAL . 24.6 m80 -114.4 124.87 53.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.372 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' B' ' 44' ' ' ILE . 37.3 t-20 -86.94 111.08 20.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.572 ' HA ' ' HB2' ' B' ' 62' ' ' SER . 19.0 mt-30 -127.61 142.58 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.22 0.533 . . . . 0.0 111.374 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' B' ' 59' ' ' CYS . 37.5 t -102.66 116.77 33.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.688 ' HE3' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -76.59 -1.08 25.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.398 -175.295 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.507 HD11 ' HB1' ' A' ' 36' ' ' ALA . 12.2 tp -80.96 -39.55 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' B' ' 56' ' ' CYS . 7.5 p -101.32 -41.58 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.97 1.66 56.07 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.634 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.6 134.43 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.572 ' HB2' ' HA ' ' B' ' 55' ' ' GLN . 65.0 m -153.54 -166.93 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.469 HG11 ' HA2' ' B' ' 69' ' ' GLY . 15.0 p -110.77 145.2 31.86 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.139 -164.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' B' ' 63' ' ' VAL . 10.2 Cg_endo -54.38 151.03 31.34 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.165 2.577 . . . . 0.0 113.493 176.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 38.5 t-105 -66.22 163.06 18.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.301 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 92.1 mt 78.52 -19.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.093 0.957 . . . . 0.0 111.897 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -93.87 164.42 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -56.4 113.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.965 0.412 . . . . 0.0 110.504 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.469 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . -81.08 63.39 4.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.669 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -147.25 179.7 7.45 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 48.84 38.82 12.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.179 0.591 . . . . 0.0 112.23 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.66 99.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -84.53 142.39 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -163.13 -113.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 135.35 34.22 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.407 ' HA ' HG21 ' B' ' 81' ' ' VAL . 2.2 m-20 -76.25 -5.06 45.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.451 0.643 . . . . 0.0 109.739 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.66 -16.21 58.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.871 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 76.4 m -66.96 135.4 94.1 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.747 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.584 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.0 Cg_exo -56.92 -18.42 27.76 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.337 2.691 . . . . 0.0 113.457 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.4 HG23 HD23 ' B' ' 58' ' ' LEU . 49.3 t -56.08 -43.88 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.013 0.435 . . . . 0.0 110.748 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' B' ' 76' ' ' ASP . 47.9 t -69.49 -42.35 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.625 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 33' ' ' ILE . 46.3 mm -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.942 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.95 92.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -58.9 -47.41 85.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.505 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -55.36 -36.42 66.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.137 0.494 . . . . 0.0 110.597 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.478 ' HA ' ' OH ' ' A' ' 18' ' ' TYR . 72.6 mt -75.07 -54.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.917 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.763 HD22 HD11 ' B' ' 38' ' ' LEU . 4.5 pp -72.54 -17.1 61.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -88.37 -21.0 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.539 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m -89.75 -0.16 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.279 0.561 . . . . 0.0 110.363 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -128.24 98.38 26.59 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.436 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.49 -174.66 2.37 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.747 2.298 . . . . 0.0 112.226 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.598 ' HD2' ' HB3' ' B' ' 11' ' ' SER . 60.3 tttm -94.7 94.44 8.12 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.58 151.07 37.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.717 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -86.7 88.44 7.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.444 0.64 . . . . 0.0 110.242 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' B' ' 96' ' ' VAL . . . -148.56 38.1 0.84 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.231 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' B' ' 95' ' ' ALA . 64.1 t . . . . . 0 C--O 1.243 0.761 0 O-C-N 124.367 1.042 . . . . 0.0 110.304 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.17 36.01 41.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.856 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.58 ' O ' ' HA ' ' A' ' 70' ' ' ASP . 30.7 t -99.83 100.45 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 110.757 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -116.9 -87.14 0.62 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CE1' HD13 ' A' ' 87' ' ' LEU . 23.5 t-160 177.09 117.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.686 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -78.66 126.01 30.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.23 159.06 22.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.435 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 14.9 m-70 -142.92 -72.3 0.3 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.23 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 35.0 m80 74.46 100.23 0.07 Allowed 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.825 0.703 . . . . 0.0 110.987 -175.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' HB2' ' HG2' ' A' ' 28' ' ' GLU . 10.5 m-70 -125.82 161.63 26.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -81.15 23.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.923 0.392 . . . . 0.0 111.479 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.471 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 16.4 m -64.38 126.43 27.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.17 45.55 0.1 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.664 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -158.33 162.12 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.03 77.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.935 0.874 . . . . 0.0 109.347 172.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.94 -69.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.701 -173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.702 ' HB3' ' HA ' ' A' ' 22' ' ' MET . 91.7 mt -137.04 132.78 34.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.023 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -97.44 -175.76 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.752 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.692 ' HD2' ' HB3' ' B' ' 22' ' ' MET . 64.0 m-85 -55.75 158.49 3.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.348 0.259 . . . . 0.0 111.284 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? 79.91 -35.52 0.14 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.921 0.888 . . . . 0.0 110.959 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 45.21 1.02 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.685 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.702 ' HA ' ' HB3' ' A' ' 17' ' ' LEU . 12.9 ptp -87.63 -24.31 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p 50.01 -95.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.43 -64.5 1.29 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -53.71 -32.91 53.78 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -168.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 22' ' ' MET . . . -60.05 -25.17 65.14 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -63.86 -27.45 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.013 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.658 ' HG2' ' HB2' ' A' ' 10' ' ' HIS . 10.0 tp10 -84.53 -38.62 19.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 12' ' ' SER . 15.2 m-20 -62.52 -45.9 90.88 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.158 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -30.35 42.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 25.5 ttm-85 -63.67 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.831 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -63.41 -49.59 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.993 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' B' ' 79' ' ' PRO . 32.7 pt -65.27 -33.35 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.215 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.08 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 111.218 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 m -76.62 -30.34 56.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -52.71 -44.44 66.33 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 38' ' ' LEU . 4.0 pp -69.12 -33.83 74.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 111.389 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 37' ' ' LEU . 39.1 tp -78.91 -26.47 43.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.543 0.687 . . . . 0.0 110.202 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HG3' HG23 ' A' ' 40' ' ' THR . 47.1 tptt -74.61 -36.51 62.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.728 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 ' HG3' ' A' ' 39' ' ' LYS . 7.3 p -133.3 -56.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.15 65.78 3.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.313 0.577 . . . . 0.0 111.664 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 56' ' ' CYS . 11.1 tp -146.93 154.26 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.729 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.42 141.87 36.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.305 0.574 . . . . 0.0 110.674 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.47 HG22 ' HA ' ' A' ' 54' ' ' ASN . 1.3 pp -133.04 134.18 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.713 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -106.38 153.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.1 t -100.83 139.69 36.17 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.21 0.528 . . . . 0.0 111.247 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.14 124.78 28.3 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.585 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.42 -35.58 70.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 0.0 111.537 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.8 -33.97 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.899 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.61 80.73 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.444 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.28 174.17 46.65 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.691 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.7 136.3 54.01 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.036 0.446 . . . . 0.0 110.561 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.51 119.32 30.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.931 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.708 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 28.0 t-20 -88.62 137.47 32.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.894 -176.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.44 110.47 13.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.8 ' HA ' HD11 ' A' ' 42' ' ' ILE . 77.5 m -68.05 111.66 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -79.25 38.25 0.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.234 -162.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -157.27 13.38 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 56' ' ' CYS . 23.8 p -152.17 -31.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.89 2.83 68.82 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.177 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.7 137.6 38.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.014 0.407 . . . . 0.0 110.232 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.3 p -100.11 123.93 44.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.45 0.643 . . . . 0.0 110.246 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 85.2 t -106.55 143.92 27.98 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.55 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 69' ' ' GLY . 70.6 Cg_exo -56.34 7.5 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.999 3.133 . . . . 0.0 114.468 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.708 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 0.0 OUTLIER 85.62 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.748 1.219 . . . . 0.0 112.171 173.045 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.7 tp -76.94 79.27 3.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.717 0.294 . . . . 0.0 111.012 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 61.42 -88.21 0.02 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.131 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.2 m -103.19 -20.93 13.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 70' ' ' ASP . . . 80.7 -69.05 3.27 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -171.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.58 ' HA ' ' O ' ' A' ' 3' ' ' SER . 4.0 t70 177.41 -78.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 O-C-N 124.382 0.696 . . . . 0.0 109.775 168.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -123.85 80.18 1.78 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.2 tp -85.41 156.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.619 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -72.16 128.66 36.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.154 0.502 . . . . 0.0 110.273 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -89.48 118.17 28.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.342 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.37 98.77 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 168.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.75 -29.7 70.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.98 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -80.16 -23.42 41.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.798 0.332 . . . . 0.0 110.956 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 60.1 m -80.45 118.61 73.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -176.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 32.7 Cg_exo -60.33 -23.67 75.21 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.341 2.694 . . . . 0.0 113.222 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.78 -34.81 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.658 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.34 -36.56 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.53 -47.64 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.937 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.15 -42.99 70.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.814 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' HA ' ' HG ' ' A' ' 87' ' ' LEU . 89.2 mttt -62.48 -44.73 95.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.839 0.352 . . . . 0.0 110.731 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -59.28 -40.41 86.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.532 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.01 -50.86 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.438 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 83' ' ' ALA . 4.0 pp -69.84 -16.97 63.35 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 t -88.05 -36.52 16.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m 65.91 23.1 11.31 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.703 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 36.1 mmt180 -128.04 95.08 34.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -95.54 165.35 1.46 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.294 2.662 . . . . 0.0 111.611 171.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -149.6 153.22 36.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.48 107.35 4.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.141 0.496 . . . . 0.0 111.014 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.81 -88.83 0.58 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.237 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.98 128.52 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.834 0.709 . . . . 0.0 112.149 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.196 178.115 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.775 0.321 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.03 172.57 28.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.801 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -138.2 -57.53 0.65 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.732 0.266 . . . . 0.0 111.365 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m 60.65 83.76 0.14 Allowed 'General case' 0 C--O 1.231 0.123 0 O-C-N 123.935 0.772 . . . . 0.0 110.468 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -96.54 114.87 26.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.402 0.62 . . . . 0.0 110.329 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -117.49 117.0 28.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.938 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -79.02 155.15 28.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -106.96 94.32 5.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.574 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -89.01 143.11 27.08 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -78.94 -92.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.479 0.18 . . . . 0.0 111.227 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t 179.68 -74.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -94.75 151.24 19.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.398 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' B' ' 14' ' ' ARG . . . -146.87 65.72 0.42 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' B' ' 13' ' ' GLY . 1.0 OUTLIER 76.55 -72.55 0.1 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 111.272 -175.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 64.4 -116.2 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.803 0.689 . . . . 0.0 110.322 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 67.5 157.09 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.797 0.685 . . . . 0.0 111.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' B' ' 20' ' ' GLN . 0.6 OUTLIER 54.34 63.12 2.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.082 176.385 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -122.13 131.76 54.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 64.17 17.85 10.92 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.712 0.632 . . . . 0.0 110.854 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.629 ' HB3' HD23 ' B' ' 17' ' ' LEU . 26.5 tp60 -112.83 -36.32 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.716 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -164.43 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.975 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.692 ' HB3' ' HD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER 77.59 132.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.362 0.665 . . . . 0.0 111.521 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -118.29 -170.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -44.19 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.288 0.635 . . . . 0.0 112.082 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.9 m -66.16 -32.24 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.051 0.453 . . . . 0.0 111.469 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.99 -22.69 67.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.201 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.24 -29.98 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.299 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.469 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 36.2 tt0 -78.44 -36.85 44.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.73 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.48 -53.63 45.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.52 -34.69 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.397 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.469 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 12.5 ptm180 -73.58 -30.17 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.729 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.22 -45.24 81.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.615 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.06 -33.96 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.83 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -68.39 -34.84 76.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.113 0.482 . . . . 0.0 110.845 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 27.0 m -76.28 -30.46 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.5 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.741 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.4 pp -67.81 -30.57 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.666 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 33.8 tp -80.18 -26.0 39.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 0.0 110.848 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.73 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.1 OUTLIER -56.45 -38.05 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.266 -178.557 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.711 HG23 ' H ' ' B' ' 41' ' ' ALA . 2.0 t -113.41 -71.46 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.326 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.711 ' H ' HG23 ' B' ' 40' ' ' THR . . . 66.87 -43.57 0.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.455 HG22 ' OD1' ' B' ' 54' ' ' ASN . 7.8 mm -122.42 101.14 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -170.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.49 -178.87 3.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.28 142.42 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.596 HG13 ' HE2' ' B' ' 57' ' ' LYS . 7.7 m -111.24 132.29 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -88.15 135.91 33.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.115 0.483 . . . . 0.0 112.112 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.25 152.98 41.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.404 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.89 -36.86 30.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.416 . . . . 0.0 110.099 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.21 -46.77 66.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.12 92.97 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.47 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.19 -175.21 44.24 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.49 21.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.119 0.485 . . . . 0.0 111.43 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.444 ' HB2' HG23 ' B' ' 45' ' ' VAL . 81.1 m-70 -106.52 112.19 25.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.402 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.455 ' OD1' HG22 ' B' ' 42' ' ' ILE . 66.0 t30 -95.98 105.72 17.79 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -156.36 157.33 35.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.935 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.74 123.05 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.598 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 33.1 mmtp -62.85 -11.72 20.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -171.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.456 HD21 ' HB1' ' A' ' 36' ' ' ALA . 5.9 mp -82.69 -105.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 83.8 m -151.6 12.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' B' ' 74' ' ' HIS . . . -87.86 -12.84 65.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.742 -0.742 . . . . 0.0 114.003 -170.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.18 130.77 8.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.601 0.7 . . . . 0.0 111.967 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 38.2 t -139.56 123.56 17.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.61 138.5 13.48 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.234 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.36 140.8 71.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.19 1.926 . . . . 0.0 111.292 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -69.9 -11.3 60.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.268 0.556 . . . . 0.0 110.961 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 22.58 5.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -144.79 162.91 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.013 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -78.16 147.19 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.784 0.326 . . . . 0.0 110.404 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.25 102.98 0.42 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -143.85 -53.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.834 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.51 25.29 7.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.181 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 12.4 tt -66.75 132.79 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.195 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -70.77 157.04 38.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.982 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' B' ' 60' ' ' GLY . 81.1 m-70 -120.64 141.66 50.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.922 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.425 ' H ' ' HA2' ' B' ' 60' ' ' GLY . . . -66.52 144.53 56.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.707 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -80.11 -6.71 58.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.961 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.89 -12.68 60.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.141 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.466 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 68.4 m -99.0 145.35 29.82 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.876 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 16.6 Cg_exo -68.4 3.0 2.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.472 2.781 . . . . 0.0 112.7 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 44.9 t -60.54 -31.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.254 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.5 -46.19 47.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.721 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.3 -43.78 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' B' ' 87' ' ' LEU . . . -57.95 -44.25 86.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 8.2 mtpm? -52.97 -52.61 57.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.393 0.616 . . . . 0.0 110.845 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.19 -39.98 95.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.796 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.26 -52.14 50.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 83' ' ' ALA . 4.5 pp -70.69 -16.75 62.82 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 71.3 m -70.8 -50.41 35.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p 52.97 -179.85 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.868 0.867 . . . . 0.0 111.8 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 90' ' ' ARG . 14.0 ttt180 57.39 87.51 0.14 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.309 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.86 78.98 0.7 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.364 2.71 . . . . 0.0 113.852 -169.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -155.53 -178.18 7.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.279 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.08 116.37 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -50.43 123.31 8.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 111.43 -173.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.68 -177.69 4.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.324 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.811 -179.755 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.95 147.28 16.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.684 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -157.18 7.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p -88.88 100.23 13.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.141 -171.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -106.86 93.09 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' B' ' 60' ' ' GLY . 10.2 p80 -72.77 140.63 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -171.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -160.83 -178.99 7.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.799 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -115.86 -170.92 1.88 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.723 0.296 . . . . 0.0 110.561 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.64 ' HB2' ' HB1' ' B' ' 75' ' ' ALA . 49.5 m-70 -136.43 -142.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -84.45 -57.16 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.768 ' HA ' ' HB2' ' B' ' 76' ' ' ASP . 63.6 m 65.43 -178.91 0.19 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.415 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m 70.15 177.06 0.27 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.72 -61.05 0.35 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.18 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 66.62 38.93 3.86 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.837 0.455 . . . . 0.0 111.248 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -67.14 131.41 45.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 0.0 110.418 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -120.7 121.21 37.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.044 0.449 . . . . 0.0 110.227 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.91 133.31 45.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.1 166.04 16.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.983 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 27' ' ' ALA . 97.2 m-85 -64.16 -19.12 65.08 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.841 -176.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -82.9 95.31 7.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.83 -95.73 0.58 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.518 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 15.4 mmt 68.5 -36.4 0.32 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' ' 22' ' ' MET . 87.7 m 74.2 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.259 0.35 . . . . 0.0 111.627 173.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -169.57 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.119 0.485 . . . . 0.0 110.525 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 m -67.01 -6.12 15.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.443 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 22' ' ' MET . . . -55.67 -36.37 67.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.346 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -74.15 -28.3 61.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.041 0.448 . . . . 0.0 110.785 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -56.28 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.505 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 2.3 m-20 -65.66 -23.78 66.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.217 -173.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.613 HG11 HG21 ' A' ' 86' ' ' ILE . 74.5 t -69.47 -44.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.989 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 26.7 mtm180 -66.39 -38.46 87.57 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 79.5 tttt -52.93 -49.67 65.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.713 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.916 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 25.4 pt -72.79 -33.62 44.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.693 0.283 . . . . 0.0 111.357 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.658 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -67.44 -32.45 73.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -57.35 -30.61 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.374 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -61.92 -45.11 95.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.675 0.274 . . . . 0.0 111.188 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.5 pp -78.57 -23.41 46.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.491 HD12 HD12 ' A' ' 37' ' ' LEU . 7.9 mp -73.63 -26.94 61.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.757 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -87.97 -41.26 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.489 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 p -133.95 -89.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.084 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 64.06 -65.41 0.13 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.864 0.866 . . . . 0.0 112.286 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.595 HD13 ' HA3' ' A' ' 69' ' ' GLY . 57.7 mt -54.7 122.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 -173.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -104.16 164.89 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.287 0.565 . . . . 0.0 111.045 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.624 HD11 ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.26 116.17 46.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.571 0.701 . . . . 0.0 109.668 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.57 123.72 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.491 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -92.43 111.42 22.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.85 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 22.4 mm-40 -89.57 139.3 30.68 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -53.02 -47.61 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.758 0.661 . . . . 0.0 111.291 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -123.84 -26.4 4.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.929 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 -22.53 69.42 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.936 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 47' ' ' GLU . . . 96.78 -175.69 31.54 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.025 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -78.75 130.49 35.83 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.4 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -136.82 142.26 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 67.4 t30 -95.45 128.87 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.504 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -120.94 154.57 35.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.213 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 25.7 p -103.1 163.49 12.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 110.633 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' B' ' 40' ' ' THR . 37.0 mttp -95.55 84.63 4.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.205 0.526 . . . . 0.0 110.187 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 7.7 mp 74.0 106.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.812 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.651 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 44.3 t 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.123 -1.398 . . . . 0.0 108.588 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.91 51.19 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.935 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB1' HD13 ' A' ' 72' ' ' ILE . . . -130.26 158.57 39.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -145.09 157.01 44.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.876 0.37 . . . . 0.0 110.537 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 9.7 p -150.79 142.59 15.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.334 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.58 132.43 45.47 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.204 1.936 . . . . 0.0 111.722 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -65.96 -8.0 20.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.85 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.76 -27.62 66.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.463 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -98.47 -170.62 1.98 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.653 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.2 t -92.01 172.79 8.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.595 ' HA3' HD13 ' A' ' 42' ' ' ILE . . . -105.58 150.34 16.93 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.607 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' OD2' ' NE2' ' A' ' 74' ' ' HIS . 1.9 t70 70.49 12.54 7.43 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.349 0.66 . . . . 0.0 111.278 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.13 -10.68 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.609 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD13 ' HB1' ' A' ' 61' ' ' ALA . 15.4 tt -93.3 151.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.83 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -48.95 133.09 18.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.4 ' NE2' ' OD2' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -89.87 -179.01 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.843 -178.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.47 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.959 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -79.33 -14.94 58.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.384 0.612 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.19 -16.63 64.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.115 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 59' ' ' CYS . 8.2 m -90.18 125.73 59.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.646 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 35.2 Cg_exo -60.87 -15.18 36.71 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.444 2.763 . . . . 0.0 113.183 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.37 -29.45 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.36 -30.69 50.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.015 0.435 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.3 mm -61.8 -46.11 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 176.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.22 78.08 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.794 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -68.3 -28.98 67.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.915 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.96 -39.55 72.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.592 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.613 HG21 HG11 ' A' ' 30' ' ' VAL . 76.7 mt -64.49 -48.12 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.257 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.77 -20.48 64.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 111.141 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -82.84 -37.97 23.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t 67.98 -173.18 0.19 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.785 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 60.53 78.69 0.31 Allowed Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.007 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.3 120.6 7.76 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.091 2.527 . . . . 0.0 112.645 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -154.55 157.22 37.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.893 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.7 tp 68.81 102.95 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.763 0.664 . . . . 0.0 111.512 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -111.28 35.16 3.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.67 100.41 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.235 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.543 -0.741 . . . . 0.0 109.867 178.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.586 0.231 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.31 40.92 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.4 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -67.74 108.31 2.9 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.095 0.474 . . . . 0.0 110.815 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 34.1 t -98.83 173.37 6.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -78.08 100.45 6.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.791 0.805 . . . . 0.0 111.338 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -144.48 68.51 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.735 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -92.91 85.78 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.862 0.839 . . . . 0.0 111.054 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -72.91 145.66 46.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.466 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -74.39 85.81 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.407 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.9 p -80.89 115.53 20.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.269 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -99.56 105.66 17.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.77 141.08 44.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.294 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -101.42 105.78 16.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.538 0.208 . . . . 0.0 111.122 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 61.02 -158.44 0.33 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.916 173.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -175.68 136.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.772 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 21' ' ' GLY . 10.6 tp -146.23 163.31 35.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -107.64 -166.62 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -171.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.01 153.58 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 59.35 24.58 13.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.441 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.449 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -139.11 52.66 0.72 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 171.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.415 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 64.7 mtt -107.85 125.55 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.391 0.615 . . . . 0.0 111.742 -170.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -154.52 -40.33 0.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.499 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.96 -57.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -57.25 -53.76 54.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -25.52 33.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -69.25 -28.65 66.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.982 0.42 . . . . 0.0 110.904 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.2 -42.21 23.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.432 -176.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -61.93 -45.77 92.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.291 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.84 -32.9 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.751 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -65.89 -30.98 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -49.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.713 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.3 pt -72.92 -30.48 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.957 0.408 . . . . 0.0 111.065 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -69.15 -32.33 71.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.044 0.45 . . . . 0.0 111.231 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.452 ' HA ' HD23 ' B' ' 38' ' ' LEU . 83.7 m -60.11 -28.7 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.764 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.7 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.588 HD13 HG13 ' B' ' 80' ' ' VAL . 4.6 pp -67.76 -23.96 65.29 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.389 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' B' ' 35' ' ' THR . 3.5 mm? -65.06 -26.09 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.75 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -91.84 -31.76 15.59 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.853 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.449 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 2.2 t -158.46 91.57 1.09 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.162 0.982 . . . . 0.0 111.323 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.7 8.96 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.471 170.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.442 HG21 ' ND2' ' B' ' 54' ' ' ASN . 69.7 mt -126.81 144.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.619 -174.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' B' ' 57' ' ' LYS . 4.5 tp10 -104.66 145.53 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -112.31 111.56 36.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.519 0.676 . . . . 0.0 110.765 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' B' ' 53' ' ' HIS . 6.3 m -106.61 106.29 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.929 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 36.1 t -92.66 141.85 28.02 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.03 178.97 5.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.894 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -72.55 -43.38 63.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.035 -176.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -130.59 -22.76 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.964 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.84 -101.97 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.523 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.05 -168.61 25.26 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.987 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -79.05 158.49 27.85 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.807 0.337 . . . . 0.0 111.041 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.448 ' HB2' HG23 ' B' ' 45' ' ' VAL . 86.8 m-70 -140.12 137.59 34.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.453 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 18.3 t-20 -90.58 117.18 29.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.876 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -123.75 127.39 48.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 111.673 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.84 98.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' B' ' 57' ' ' LYS . 2.0 tmtp? -69.48 -21.48 63.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.194 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' B' ' 78' ' ' CYS . 7.5 tp -85.57 8.17 20.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.855 -174.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 48.4 t -153.45 -42.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.131 0.491 . . . . 0.0 110.887 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 6' ' ' HIS . . . 103.17 61.29 0.7 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.406 -175.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 130.68 44.4 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -101.94 135.88 42.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.075 0.464 . . . . 0.0 110.773 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 7.2 p -138.56 137.82 20.96 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.721 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.16 131.96 32.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.794 2.329 . . . . 0.0 112.88 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 7.8 p90 -73.36 164.68 26.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.213 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 70.85 20.25 5.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -121.52 162.01 21.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -74.62 -25.98 59.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' B' ' 71' ' ' GLU . . . 73.7 -175.08 47.55 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.828 176.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.87 -28.22 0.18 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.631 0.772 . . . . 0.0 111.649 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 69' ' ' GLY . 20.3 mt-10 -56.65 -38.55 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.504 0.721 . . . . 0.0 111.563 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 9.4 tt -61.66 136.11 25.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.403 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 73' ' ' LYS . 12.0 mmtp -66.16 106.14 1.57 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.382 1.087 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -91.46 -175.02 4.09 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.502 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.64 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . -84.21 115.18 22.3 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 168.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.768 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 53.8 m-20 -72.51 -8.83 57.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.096 0.474 . . . . 0.0 110.803 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.25 -22.35 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.984 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.588 ' HB3' HD23 ' B' ' 58' ' ' LEU . 80.6 m -64.76 127.22 92.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -177.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.916 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -52.39 -23.94 20.12 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 123.751 2.967 . . . . 0.0 113.734 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.588 HG13 HD13 ' B' ' 37' ' ' LEU . 76.7 t -61.32 -34.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.054 0.454 . . . . 0.0 110.398 177.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' B' ' 76' ' ' ASP . 33.5 t -71.21 -46.69 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.055 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.467 HG22 ' HA ' ' B' ' 79' ' ' PRO . 9.6 tp -68.7 -38.73 79.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 110.371 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.87 88.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.405 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.533 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 21.9 ptmt -67.6 -27.87 67.28 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.04 -36.4 72.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.3 mt -70.67 -44.84 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.085 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -76.17 -8.49 57.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.799 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -67.72 107.59 2.63 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p -133.3 167.7 19.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.311 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 52.3 mtt180 -71.39 114.81 31.08 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 15.6 Cg_exo -67.21 100.28 0.53 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.8 2.333 . . . . 0.0 113.286 -173.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.442 ' O ' ' HB3' ' B' ' 93' ' ' LEU . 90.4 mttt -82.14 148.85 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 168.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' B' ' 94' ' ' HIS . 56.4 tp 67.53 173.51 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -168.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.45 ' N ' ' HG ' ' B' ' 93' ' ' LEU . 81.6 t60 -93.13 114.27 26.74 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.36 -0.838 . . . . 0.0 110.826 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.41 155.53 25.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.875 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.038 -179.831 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 38' ' ' LEU . 26.8 ttt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.559 0.218 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.49 174.66 38.91 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p -78.77 -28.47 44.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.299 0.571 . . . . 0.0 110.45 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 t -98.96 145.43 27.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.684 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -75.19 123.79 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 0.0 110.55 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -134.46 145.74 49.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.881 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -136.64 143.79 43.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -158.54 112.62 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -67.24 156.02 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -74.22 80.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 t -83.0 95.05 7.9 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -81.73 44.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.427 -174.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.49 170.27 44.22 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.548 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 4.8 ppt_? -165.59 145.01 6.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.106 0.453 . . . . 0.0 111.291 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.713 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 29.8 tt0 -137.54 75.51 1.53 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -71.03 102.12 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.591 -1.186 . . . . 0.0 113.053 -167.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' HB ' ' A' ' 23' ' ' THR . 73.8 mt -137.59 135.64 36.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.652 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.01 -172.08 2.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.803 0.335 . . . . 0.0 110.7 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' B' ' 27' ' ' ALA . 66.1 m-85 -75.55 174.71 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.43 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 48.2 tt0 73.6 -52.6 0.7 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.969 0.793 . . . . 0.0 110.455 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.66 67.3 0.33 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' B' ' 22' ' ' MET . 65.5 mtp -86.03 -168.83 2.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.096 0.474 . . . . 0.0 110.561 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.504 ' HB ' HD12 ' A' ' 17' ' ' LEU . 12.6 t -152.37 -173.74 4.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.7 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.34 -52.57 25.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 15' ' ' GLU . 1.6 m -75.5 -8.29 56.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.294 -174.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -31.38 71.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.097 0.475 . . . . 0.0 110.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.04 -31.1 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.342 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.529 ' HG3' HH21 ' A' ' 31' ' ' ARG . 38.4 tt0 -75.07 -34.9 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.67 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 1.2 m-20 -60.6 -42.79 97.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.651 0.262 . . . . 0.0 110.738 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 HD13 ' A' ' 86' ' ' ILE . 16.7 t -74.6 -31.19 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.242 0.544 . . . . 0.0 109.895 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 52.3 ttp180 -63.02 -30.91 71.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.439 176.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.527 ' NZ ' ' HA ' ' A' ' 29' ' ' ASP . 28.5 mtmm -57.91 -47.93 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.759 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 30' ' ' VAL . 37.5 pt -68.15 -35.55 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.841 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -66.21 -47.15 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.713 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.9 m -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -66.3 -45.66 79.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.617 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.3 pp -70.51 -28.61 65.09 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.909 -175.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 1' ' ' MET . 3.2 mm? -69.62 -34.58 74.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 110.26 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.7 ' HG3' HG22 ' A' ' 40' ' ' THR . 48.3 tptt -71.51 -57.13 4.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.035 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.7 HG22 ' HG3' ' A' ' 39' ' ' LYS . 2.3 t -162.08 83.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.892 0.853 . . . . 0.0 112.664 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . -115.52 5.61 14.47 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.387 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.458 HG12 ' HB3' ' A' ' 56' ' ' CYS . 39.8 mt -106.83 130.92 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.779 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.0 155.73 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.378 . . . . 0.0 110.346 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.5 pp -98.13 132.08 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.338 0.59 . . . . 0.0 111.185 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -109.66 118.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.467 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 t -88.72 137.08 32.64 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.32 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -87.99 173.74 8.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.072 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.09 -49.25 58.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 0.0 109.948 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -132.68 -27.49 1.7 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.394 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.79 -27.8 59.59 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.988 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.31 -124.62 5.0 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.647 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.11 137.59 19.81 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 123.769 0.335 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -118.33 126.89 53.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HB2' HG22 ' A' ' 44' ' ' ILE . 8.4 t30 -109.24 106.34 16.15 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 62' ' ' SER . 23.1 pt20 -139.56 132.65 29.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.921 -173.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' HG12 ' A' ' 42' ' ' ILE . 7.4 p -84.93 117.89 24.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.155 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -78.43 -14.29 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.002 0.43 . . . . 0.0 110.742 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.582 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 10.3 tp -82.08 8.57 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.7 t -148.19 -32.85 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.25 2.22 62.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.034 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 130.0 34.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 55' ' ' GLN . 28.4 m -108.33 124.16 49.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.477 . . . . 0.0 110.749 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.773 HG12 ' H ' ' A' ' 65' ' ' TRP . 94.4 t -103.54 132.34 21.17 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.857 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 63' ' ' VAL . 20.6 Cg_exo -67.2 -4.04 10.94 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.207 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.773 ' H ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER 72.45 -37.56 0.39 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.918 0.887 . . . . 0.0 112.539 174.197 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.26 2.16 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.85 171.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' HB3' ' HG2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -136.24 151.85 50.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -50.03 -33.08 17.03 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 8.01 42.04 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 65.22 14.64 9.53 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.03 0.488 . . . . 0.0 111.162 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 69.46 -67.77 0.21 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.904 0.882 . . . . 0.0 111.039 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.9 mt 69.15 108.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 123.754 0.659 . . . . 0.0 111.429 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.74 119.89 8.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -79.06 158.05 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.6 -169.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.5 129.73 41.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -80.79 -14.84 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.728 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.09 -38.61 79.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.191 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.3 m -80.73 153.38 73.02 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.949 -174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.767 ' HB2' HG23 ' B' ' 33' ' ' ILE . 40.1 Cg_endo -67.87 10.11 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.882 2.388 . . . . 0.0 112.619 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.13 -29.85 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.537 . . . . 0.0 109.676 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 14.2 m -54.65 -37.68 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.149 174.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.7 mm -70.19 -47.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.228 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -55.11 -41.7 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.793 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 11.3 ptmm? -67.68 -29.44 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.055 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 81' ' ' VAL . 6.1 mm-40 -76.37 -34.51 58.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.916 0.388 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 82' ' ' ILE . 37.7 mt -63.03 -41.0 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.966 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 64.5 tp -60.72 -30.45 69.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.4 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -84.27 46.19 1.19 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.858 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -60.55 116.45 4.35 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 61.02 79.96 0.27 Allowed Pre-proline 0 N--CA 1.467 0.388 0 O-C-N 123.746 0.654 . . . . 0.0 109.866 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -79.94 85.43 1.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.885 2.39 . . . . 0.0 112.478 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.471 ' HE2' ' HB2' ' A' ' 95' ' ' ALA . 24.5 ttpt 63.39 -173.55 0.16 Allowed 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.753 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' H ' ' HG2' ' A' ' 92' ' ' LYS . 36.9 tp -64.42 -43.77 93.3 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.026 -0.421 . . . . 0.0 110.896 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -139.26 -84.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.426 175.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB2' ' HE2' ' A' ' 92' ' ' LYS . . . 59.33 -167.65 0.16 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.757 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.833 175.542 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.75 21.79 69.52 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.764 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 p -101.22 108.39 20.03 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.737 0.303 . . . . 0.0 110.506 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.3 t -155.6 134.57 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.279 0.561 . . . . 0.0 110.865 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -137.51 147.86 45.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -67.81 -48.24 66.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.383 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 58.78 -166.41 0.17 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.521 0.513 . . . . 0.0 110.557 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -151.14 94.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.442 . . . . 0.0 110.292 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.92 -60.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t60 58.57 94.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.671 0.607 . . . . 0.0 110.801 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 20.8 m -75.89 159.1 31.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.623 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 14.2 t -141.73 103.8 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.187 0.518 . . . . 0.0 110.451 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.87 131.76 5.87 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -125.57 154.4 42.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.032 0.416 . . . . 0.0 110.074 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.492 ' HB3' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -98.19 124.18 42.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.322 0.582 . . . . 0.0 111.746 -176.602 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -132.17 101.56 5.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.643 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.4 mm? 68.75 162.09 0.21 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.007 0.817 . . . . 0.0 111.195 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -106.28 -170.58 1.75 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.202 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.526 ' HA ' ' HG2' ' B' ' 22' ' ' MET . 90.0 m-85 -78.22 -170.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.559 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 19.5 tm0? 78.09 -27.59 0.17 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.961 0.788 . . . . 0.0 110.329 -176.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' B' ' 19' ' ' PHE . . . -123.28 26.33 6.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.815 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' B' ' 19' ' ' PHE . 18.2 mmt -91.83 140.11 30.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.069 0.461 . . . . 0.0 110.939 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.0 m -123.92 -59.93 1.47 Allowed 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.758 -171.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -105.24 -83.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -167.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 -10.06 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -164.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.47 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.687 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.526 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -61.88 -29.62 70.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.72 -36.81 19.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.59 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.21 -41.93 99.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.972 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 33' ' ' ILE . 64.5 t -69.03 -41.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.74 0.305 . . . . 0.0 111.454 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -69.95 -27.39 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.134 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -56.62 -55.86 28.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.767 HG23 ' HB2' ' A' ' 79' ' ' PRO . 1.3 pt -66.06 -42.21 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.072 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.97 74.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.379 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.7 m -64.68 -41.24 96.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -61.36 -43.4 98.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.68 -177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.72 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 3.4 pp -73.87 -24.92 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.66 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' B' ' 37' ' ' LEU . 1.8 mm? -79.1 -42.41 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.343 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.642 ' HG3' HG22 ' B' ' 40' ' ' THR . 19.8 ptmt -80.84 -44.52 18.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -167.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.642 HG22 ' HG3' ' B' ' 39' ' ' LYS . 13.6 t -156.1 13.95 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.152 -170.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.72 ' CB ' ' HA ' ' B' ' 37' ' ' LEU . . . -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.139 0.495 . . . . 0.0 110.696 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.672 HD13 ' HA ' ' B' ' 56' ' ' CYS . 8.4 mt -88.65 -122.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.876 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -158.71 149.79 20.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.5 0.667 . . . . 0.0 110.871 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 21.3 mm -87.77 126.84 41.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.737 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.88 106.89 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 170.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.573 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 16.9 p -95.23 141.94 28.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.375 -174.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 49' ' ' ASP . 39.8 mt-10 -76.87 98.58 4.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.693 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.41 -78.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.145 0.903 . . . . 0.0 111.693 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' B' ' 47' ' ' GLU . 20.9 t70 -142.99 -28.93 0.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.609 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -78.4 0.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.155 -0.545 . . . . 0.0 114.226 -170.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.75 165.71 28.52 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.855 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -135.39 133.37 38.63 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.654 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -121.41 132.75 54.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.697 0.284 . . . . 0.0 110.823 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.469 ' HB3' HG13 ' B' ' 63' ' ' VAL . 43.3 t30 -96.26 113.23 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -106.59 114.9 29.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.672 ' HA ' HD13 ' B' ' 42' ' ' ILE . 49.0 t -80.29 107.86 13.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.571 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.1 OUTLIER -68.54 -11.28 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 179.398 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -88.08 0.94 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.501 -173.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.498 ' HA ' ' SG ' ' B' ' 78' ' ' CYS . 20.9 p -159.7 -31.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.31 18.05 25.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.963 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.531 ' HB3' HG23 ' B' ' 72' ' ' ILE . . . -96.9 163.91 12.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.558 0.218 . . . . 0.0 110.861 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' B' ' 54' ' ' ASN . 7.5 p -135.83 135.98 22.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.907 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.49 150.16 61.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.728 2.285 . . . . 0.0 112.441 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.486 ' HE3' ' H ' ' B' ' 65' ' ' TRP . 3.4 p90 -57.27 -18.13 15.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.87 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.03 -23.17 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.72 0.295 . . . . 0.0 111.413 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.99 170.3 9.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.415 HG23 ' H ' ' B' ' 69' ' ' GLY . 0.6 OUTLIER -113.54 -68.86 0.9 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -172.341 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.415 ' H ' HG23 ' B' ' 68' ' ' THR . . . -146.54 -9.35 0.25 Allowed Glycine 0 C--N 1.334 0.45 0 C-N-CA 119.033 -1.556 . . . . 0.0 114.862 -168.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.81 -11.77 60.48 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.545 0.673 . . . . 0.0 110.16 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -100.14 8.57 43.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.682 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.531 HG23 ' HB3' ' B' ' 61' ' ' ALA . 42.3 mm -94.29 115.16 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.874 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.683 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -170.03 -113.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.546 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -76.7 142.72 40.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.097 0.475 . . . . 0.0 111.972 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.73 -19.8 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.913 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.07 -21.11 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.042 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.523 ' O ' HG22 ' B' ' 81' ' ' VAL . 57.3 m -87.49 127.68 57.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.635 -175.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 27.1 Cg_exo -64.03 -3.79 6.53 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.179 2.586 . . . . 0.0 113.243 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.02 -38.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 78' ' ' CYS . 18.5 m -62.08 -37.42 78.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.999 0.428 . . . . 0.0 111.06 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.473 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.2 mm -66.98 -51.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 33' ' ' ILE . . . -57.67 -45.66 85.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.086 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.26 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.47 -37.05 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.596 0.236 . . . . 0.0 110.948 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.7 mt -61.58 -43.63 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.924 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -76.5 -13.19 60.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.622 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -82.28 56.0 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.362 0.601 . . . . 0.0 110.454 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.0 t -149.95 119.16 6.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.09 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -93.57 148.49 35.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.95 139.67 84.89 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.913 2.409 . . . . 0.0 112.27 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.571 ' HD2' ' O ' ' B' ' 92' ' ' LYS . 0.4 OUTLIER -88.12 -2.5 58.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.049 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.508 HD23 ' N ' ' B' ' 94' ' ' HIS . 5.0 tt 72.38 138.62 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.508 ' N ' HD23 ' B' ' 93' ' ' LEU . 12.7 t60 -79.05 104.98 10.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.276 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.02 -146.9 0.4 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.635 0.584 . . . . 0.0 112.008 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.249 1.064 0 C-N-CA 124.911 1.284 . . . . 0.0 113.155 -179.061 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.02 71.15 0.9 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.753 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -82.76 121.77 27.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.06 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -105.41 137.21 43.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -112.24 -73.28 0.68 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 64.7 175.99 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.025 -173.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.6 m80 54.86 47.55 22.05 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.372 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -82.56 36.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.716 -173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 69.64 177.21 0.27 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.868 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -121.85 93.65 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.062 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.0 m -95.16 -169.12 1.92 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.098 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m 75.27 86.74 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.037 0.836 . . . . 0.0 111.329 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.6 167.03 51.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.086 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.32 99.91 9.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.901 0.382 . . . . 0.0 111.226 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -139.35 -83.88 0.26 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t30 61.64 107.35 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.723 ' HB2' ' H ' ' A' ' 22' ' ' MET . 5.6 mp -115.32 15.76 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' A' ' 22' ' ' MET . 55.1 t80 64.85 171.54 0.2 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.262 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HE2' HD13 ' B' ' 86' ' ' ILE . 80.5 m-85 -78.49 27.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.03 -0.419 . . . . 0.0 112.067 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.746 ' HG3' ' HA ' ' B' ' 23' ' ' THR . 24.2 tt0 -121.13 12.61 11.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -108.72 0.27 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.465 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.723 ' H ' ' HB2' ' A' ' 17' ' ' LEU . 20.9 mmt 68.47 131.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.807 0.813 . . . . 0.0 111.847 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -71.87 0.35 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.196 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -139.78 -10.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.841 0.829 . . . . 0.0 108.975 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.487 ' HA ' ' CG ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -63.52 -12.77 34.96 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.729 -173.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.2 94.39 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.07 58.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 25' ' ' THR . 6.4 mm-40 -64.67 -50.11 68.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.414 -174.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 26.8 t70 -83.97 -40.27 18.69 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.65 -30.61 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.829 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.6 ttp-105 -56.7 -36.55 69.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 28.1 ttmt -61.07 -45.73 93.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.59 -41.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.287 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.18 -43.98 93.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.884 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.1 m -62.77 -31.7 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.92 18.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.052 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -64.11 -24.39 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -175.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.21 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.992 0.425 . . . . 0.0 110.749 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.1 -55.86 3.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.79 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 57' ' ' LYS . 11.6 p -99.07 50.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HB1' ' B' ' 41' ' ' ALA . . . -139.74 7.52 2.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.639 0.733 . . . . 0.0 109.482 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 55' ' ' GLN . 3.0 mp -115.63 136.82 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.128 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.27 143.2 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.22 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' A' ' 54' ' ' ASN . 17.5 pt -102.43 112.59 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.063 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.26 124.8 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 17.7 t -81.92 138.41 35.0 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.249 0.547 . . . . 0.0 109.968 -177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.04 153.71 48.13 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.953 -174.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.59 -23.83 61.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.552 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -50.85 -64.04 0.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.069 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.56 -2.52 1.48 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.832 -177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.95 133.38 3.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.333 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . 28.94 85.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -82.71 113.04 20.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.093 0.473 . . . . 0.0 110.072 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' HA ' HG22 ' A' ' 44' ' ' ILE . 42.8 t-20 -81.18 104.59 11.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.85 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 26.8 tt0 -128.12 123.56 34.78 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.431 ' HA ' HG13 ' A' ' 42' ' ' ILE . 3.9 p -65.04 119.42 10.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.297 170.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' B' ' 40' ' ' THR . 73.9 tttt -77.38 -6.94 55.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.45 -167.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD11 ' HB1' ' B' ' 36' ' ' ALA . 12.7 tp -75.73 -55.22 5.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.146 -176.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -102.63 -24.67 13.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.467 . . . . 0.0 110.995 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.47 61.76 1.61 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.3 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.66 40.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.85 ' HB3' ' HB2' ' A' ' 55' ' ' GLN . 59.4 p -122.53 162.64 21.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.372 0.606 . . . . 0.0 112.546 -173.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -133.43 142.98 46.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.348 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 127.07 23.07 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.896 2.398 . . . . 0.0 111.996 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -63.31 -28.79 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.062 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.02 17.4 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.682 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.558 ' HG2' HG22 ' A' ' 68' ' ' THR . 30.0 tt0 -87.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.558 HG22 ' HG2' ' A' ' 67' ' ' GLN . 8.3 t 176.75 -35.97 0.01 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.58 -157.68 34.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.662 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 64.98 -72.72 0.06 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.347 0.659 . . . . 0.0 112.28 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.97 99.99 3.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 0.0 111.203 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.14 112.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.471 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -68.08 104.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.161 0.505 . . . . 0.0 110.182 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -95.66 177.51 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.675 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.6 150.97 23.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.23 -13.57 62.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.517 0.675 . . . . 0.0 110.251 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -82.69 -12.76 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.909 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.6 m -86.64 135.42 36.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.484 -176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.22 2.85 2.42 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.884 2.39 . . . . 0.0 112.399 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.33 -29.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.088 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.76 -51.07 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' ' 86' ' ' ILE . 6.3 tp -64.99 -44.15 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.473 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' HD13 ' B' ' 33' ' ' ILE . . . -55.55 -41.67 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.68 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 86.0 tttt -64.25 -36.97 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.274 0.559 . . . . 0.0 110.815 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.22 -37.59 83.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 82' ' ' ILE . 50.5 mm -62.65 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.829 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -70.0 -15.55 63.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.493 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 t -86.51 -37.85 17.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.507 ' OG ' ' HD3' ' A' ' 31' ' ' ARG . 32.8 m 65.0 17.38 11.06 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.12 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 23.3 ptt180 -141.63 154.36 66.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.567 0.222 . . . . 0.0 110.73 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 12.8 Cg_exo -70.4 116.24 4.54 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.692 2.261 . . . . 0.0 111.373 174.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -95.42 134.84 37.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 178.437 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.75 155.21 30.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.254 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 50.78 89.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.205 0.941 . . . . 0.0 112.955 172.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.57 159.04 15.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.124 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.158 178.759 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.39 157.21 51.9 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.935 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -77.29 125.97 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.626 0.25 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -94.57 117.49 30.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.86 0.362 . . . . 0.0 110.409 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -111.42 138.97 47.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -89.63 116.37 27.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -144.13 90.52 2.12 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -168.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -175.5 140.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.366 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -127.11 168.29 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -169.39 174.63 5.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.523 0.201 . . . . 0.0 111.482 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m 72.55 26.65 2.48 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 124.013 0.82 . . . . 0.0 112.817 172.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . 0.536 ' HB3' ' NH1' ' B' ' 14' ' ' ARG . 19.9 m -69.21 102.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 172.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.92 99.22 2.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.387 -173.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.536 ' NH1' ' HB3' ' B' ' 12' ' ' SER . 6.3 mpt_? -115.99 101.28 8.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.08 125.72 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 61.25 -166.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.692 0.62 . . . . 0.0 110.997 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp 69.9 114.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.842 0.714 . . . . 0.0 111.375 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -77.67 -42.32 35.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.539 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -142.59 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -72.92 70.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.512 0.508 . . . . 0.0 111.665 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.28 117.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.653 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.14 102.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.299 0.571 . . . . 0.0 110.703 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.785 HG23 ' H ' ' B' ' 25' ' ' THR . 13.0 t 174.63 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.987 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.24 -30.17 68.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 0.0 110.996 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.785 ' H ' HG23 ' B' ' 23' ' ' THR . 10.2 m -76.32 -33.94 59.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.575 -175.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.94 93.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.02 81.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.327 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' B' ' 31' ' ' ARG . 10.6 tp10 -61.49 -42.69 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.273 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.25 -53.75 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 111.066 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.45 -34.68 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 1.8 tmt_? -60.92 -42.06 97.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.376 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -57.1 -46.33 82.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.381 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 83' ' ' ALA . 32.9 mt -64.42 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.775 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -63.9 -39.26 93.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.478 -174.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.1 m -66.21 -32.62 74.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -71.96 -42.64 66.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.367 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.6 pp -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 110.826 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.99 -26.45 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.53 0.681 . . . . 0.0 109.95 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -90.65 -44.02 9.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.469 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.449 HG22 ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -133.14 31.1 3.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -168.516 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HB1' ' A' ' 41' ' ' ALA . . . -117.68 31.16 6.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.384 0.611 . . . . 0.0 110.748 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 47.2 mt -120.27 134.14 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.726 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -106.16 152.81 22.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 pt -110.47 111.24 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-O 121.103 0.478 . . . . 0.0 110.326 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 m -106.89 106.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.467 0.651 . . . . 0.0 110.464 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.756 ' HA ' ' H ' ' B' ' 52' ' ' ALA . 14.1 m -107.82 138.28 44.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.187 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.556 ' H ' ' HA3' ' B' ' 51' ' ' GLY . 56.4 mm-40 -75.24 158.4 32.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.792 0.329 . . . . 0.0 110.607 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.96 -36.61 72.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.887 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -89.45 -65.79 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.99 -86.09 0.55 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.704 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.556 ' HA3' ' H ' ' B' ' 47' ' ' GLU . . . 54.27 -121.84 21.39 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-O 121.467 0.482 . . . . 0.0 112.851 -175.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.756 ' H ' ' HA ' ' B' ' 46' ' ' SER . . . 77.57 84.05 0.08 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.473 -1.364 . . . . 0.0 111.422 177.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -129.08 120.15 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.384 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -95.93 107.41 19.67 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -140.55 146.16 37.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.327 0.584 . . . . 0.0 111.39 -172.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -84.72 145.67 27.81 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 40' ' ' THR . 74.0 mmtt -53.16 -38.33 62.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.084 0.468 . . . . 0.0 111.726 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.78 6.77 26.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 16.8 t 65.32 21.29 11.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.212 0.53 . . . . 0.0 110.664 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.77 92.92 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.474 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.17 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -137.02 124.72 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' HD2' ' B' ' 64' ' ' PRO . 13.5 p -151.92 143.24 15.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.421 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 10.1 Cg_endo -52.38 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.048 2.499 . . . . 0.0 113.376 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 57.66 -166.67 0.14 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.124 176.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.13 84.48 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.445 ' O ' ' HB ' ' B' ' 68' ' ' THR . 51.8 tt0 -155.02 107.99 2.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.421 -177.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' B' ' 67' ' ' GLN . 91.6 m 74.91 142.82 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.381 0.61 . . . . 0.0 111.606 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.06 148.16 17.82 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.941 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 34.6 t70 71.86 -53.39 0.69 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.642 0.777 . . . . 0.0 111.682 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.87 80.01 7.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.685 0.278 . . . . 0.0 110.624 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -167.05 161.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.155 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.87 128.21 33.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.388 . . . . 0.0 110.246 174.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -135.07 155.03 51.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.942 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.57 126.16 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.293 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.36 -25.44 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.25 0.548 . . . . 0.0 110.541 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.2 -17.2 60.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.737 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.528 ' SG ' HG22 ' B' ' 80' ' ' VAL . 15.9 t -74.89 130.0 82.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.813 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 25.7 Cg_exo -63.37 -13.29 35.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.314 2.676 . . . . 0.0 113.05 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.528 HG22 ' SG ' ' B' ' 78' ' ' CYS . 31.5 m -64.24 -29.4 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.316 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.07 -48.33 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 120.697 0.284 . . . . 0.0 111.41 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.505 ' O ' HG13 ' B' ' 86' ' ' ILE . 2.7 pp -74.9 -31.75 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.786 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.27 -53.07 62.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.653 0.263 . . . . 0.0 111.062 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.548 ' HA ' ' CD2' ' B' ' 87' ' ' LEU . 0.0 OUTLIER -63.55 -28.67 70.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.547 176.682 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -65.36 -40.8 94.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.716 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.546 HD13 ' HE2' ' A' ' 19' ' ' PHE . 91.1 mt -66.78 -45.69 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.315 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.548 ' CD2' ' HA ' ' B' ' 84' ' ' LYS . 3.0 pp -66.45 -24.97 66.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 t -75.59 -54.26 7.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.496 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t 63.93 3.1 1.54 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.38 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.9 137.41 19.28 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 96.68 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.458 2.105 . . . . 0.0 111.724 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -68.15 121.88 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.97 138.26 56.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.821 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -70.72 107.43 3.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.899 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.73 129.23 9.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.516 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.246 0.888 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.769 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.727 0.299 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.72 104.31 2.81 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.031 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -152.85 110.62 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 p -66.57 104.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.44 0.638 . . . . 0.0 110.949 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' B' ' 77' ' ' ASP . 60.3 t-80 -102.77 127.82 49.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.833 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -123.51 179.64 4.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -82.45 153.07 25.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.328 0.585 . . . . 0.0 111.494 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -125.74 76.8 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -122.64 97.86 5.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.951 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -104.24 -50.31 3.38 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -148.26 148.89 30.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.534 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 p -138.98 103.15 4.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.97 -138.93 2.52 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.962 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HD3' ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -132.45 7.61 4.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.139 0.495 . . . . 0.0 110.453 178.38 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 16' ' ' ASN . 1.1 pm0 -80.31 166.01 21.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.518 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 6.1 t30 74.95 149.55 0.1 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.91 0.757 . . . . 0.0 110.912 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.93 -170.92 1.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.278 0.561 . . . . 0.0 111.005 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -107.47 92.27 4.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.394 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CE1' HG21 ' B' ' 30' ' ' VAL . 56.3 m-85 68.14 -46.6 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.284 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.14 -35.43 71.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.27 0.557 . . . . 0.0 110.273 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.46 123.94 3.53 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.548 ' HB2' ' HB3' ' B' ' 19' ' ' PHE . 1.1 mmt -133.27 174.86 9.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.005 0.402 . . . . 0.0 110.698 -173.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -122.5 -178.03 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.84 -35.71 74.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.5 m -56.71 -28.52 61.09 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.715 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.515 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.442 ' HA ' ' CE2' ' B' ' 19' ' ' PHE . . . -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.685 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 36.1 tt0 -75.68 -46.46 31.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.26 -54.58 43.62 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.25 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.48 -37.99 81.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 87' ' ' LEU . 47.5 ttt180 -67.5 -43.78 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.709 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 27.3 mtpp -63.83 -42.69 97.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.821 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 77.8 mt -67.15 -51.37 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . . . -57.69 -35.76 71.05 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 112.078 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -72.67 -31.79 65.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.74 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -70.24 -32.36 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 40' ' ' THR . 13.4 mt -60.59 -39.4 87.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.8 -36.61 67.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.57 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -91.44 -15.63 28.58 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 37' ' ' LEU . 6.8 t -105.68 -22.44 12.96 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.33 -19.03 19.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.23 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.89 112.74 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 159.46 15.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.532 0.682 . . . . 0.0 111.768 -173.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.2 pp -111.61 124.27 68.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.645 169.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -103.83 113.88 41.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.462 0.649 . . . . 0.0 110.794 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.4 p -83.75 141.27 31.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.249 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 43.4 mt-10 -90.0 -179.37 5.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.582 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -91.01 -17.53 26.14 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 109.916 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -143.38 -50.34 0.33 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.163 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.4 -29.87 67.07 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 114.964 0.745 . . . . 0.0 114.964 -170.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' H ' ' HB2' ' A' ' 47' ' ' GLU . . . 135.62 -124.23 3.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.962 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.11 144.81 25.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.82 0.343 . . . . 0.0 110.537 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.23 138.79 54.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 62' ' ' SER . 22.1 t-20 -82.75 128.22 34.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -130.03 142.15 50.65 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.231 0.539 . . . . 0.0 111.185 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 15.7 p -116.54 88.81 2.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 3.0 ttmp? -55.42 -24.21 29.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.002 -174.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.4 -37.19 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 32.5 t -99.73 -38.06 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.5 9.4 41.15 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.419 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -92.21 159.43 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.657 0.265 . . . . 0.0 111.006 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 19.5 p -161.59 143.4 11.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.001 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 64' ' ' PRO . 1.6 p -149.98 156.69 38.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 63' ' ' VAL . 3.8 Cg_exo -42.1 128.15 4.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.883 2.389 . . . . 0.0 112.025 172.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -60.93 -23.54 65.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.569 -171.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 tp -93.03 35.03 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -157.45 131.69 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 71' ' ' GLU . 36.2 m -67.22 -51.09 57.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.03 67.28 2.3 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 113.528 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 61.26 24.63 14.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.417 0.287 . . . . 0.0 111.436 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 72' ' ' ILE . 29.2 tt0 59.1 46.93 12.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 71' ' ' GLU . 5.0 tp 66.86 -3.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.421 1.488 . . . . 0.0 112.908 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? 67.46 141.76 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.319 0.581 . . . . 0.0 110.998 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -129.42 145.56 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.062 -0.399 . . . . 0.0 110.501 -176.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 162.66 14.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.457 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.01 -32.04 73.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.384 0.611 . . . . 0.0 110.135 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.11 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.723 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 80' ' ' VAL . 72.1 m -80.79 122.13 81.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.886 0.374 . . . . 0.0 111.178 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 26.4 Cg_exo -63.87 -15.41 48.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.047 2.498 . . . . 0.0 112.389 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 78' ' ' CYS . 28.3 m -61.99 -30.05 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.39 -34.26 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 121.211 0.529 . . . . 0.0 109.916 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 86' ' ' ILE . 43.0 mm -70.18 -49.82 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.111 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' B' ' 33' ' ' ILE . . . -57.44 -41.94 81.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.95 -47.07 87.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.401 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.462 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.9 mt -60.71 -42.67 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.555 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.637 ' HB2' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -80.36 -6.39 57.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.81 0.338 . . . . 0.0 111.441 -176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.0 m -103.71 29.61 5.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.933 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -55.15 -39.57 69.61 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.65 0.738 . . . . 0.0 109.403 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -95.46 121.49 61.62 Favored Pre-proline 0 N--CA 1.448 -0.568 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 169.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -47.74 114.28 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.586 2.857 . . . . 0.0 113.275 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -56.41 140.49 45.47 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.852 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt -49.16 109.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 0.0 111.545 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -135.55 128.84 32.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.115 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.6 98.09 11.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.276 -175.006 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.42 95.93 0.19 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -74.09 142.12 45.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.383 . . . . 0.0 110.973 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -84.59 149.1 26.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -126.95 115.46 19.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -96.18 110.14 22.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.726 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -87.28 148.59 25.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.427 0.632 . . . . 0.0 112.367 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -117.69 139.49 50.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.237 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' B' ' 10' ' ' HIS . 10.0 p80 -157.9 179.25 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 177.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 9' ' ' HIS . 1.5 m170 75.81 112.29 0.07 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.988 0.805 . . . . 0.0 110.37 -173.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -147.2 95.45 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.659 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.0 m -103.09 -31.25 10.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.409 0.623 . . . . 0.0 109.501 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.07 -175.74 33.86 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.188 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' B' ' 14' ' ' ARG . 54.5 mtt180 69.55 117.95 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.904 0.859 . . . . 0.0 112.141 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' B' ' 15' ' ' GLU . 0.4 OUTLIER -98.67 -6.31 29.94 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.878 172.426 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 61.18 -165.44 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.752 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.3 82.34 8.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.544 ' O ' ' HG2' ' B' ' 22' ' ' MET . 2.8 p90 -64.33 -29.63 70.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.154 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 22' ' ' MET . 49.4 m-85 -73.1 161.58 30.46 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.378 175.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.52 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 42.5 tp60 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.593 0.558 . . . . 0.0 111.472 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.03 50.71 1.18 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.115 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 13.4 mmt -111.82 162.24 15.48 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 111.375 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.404 HG22 ' H ' ' B' ' 24' ' ' ASP . 0.8 OUTLIER -104.75 171.94 7.06 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.278 177.611 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.404 ' H ' HG22 ' B' ' 23' ' ' THR . 1.8 m-20 -58.21 -25.07 61.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.224 0.535 . . . . 0.0 111.038 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -72.0 -13.14 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.732 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.46 -38.45 84.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.541 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -74.8 -39.46 61.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.481 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 13.7 t70 -72.94 -27.59 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.179 0.514 . . . . 0.0 110.144 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' A' ' 19' ' ' PHE . 88.5 t -72.49 -40.57 63.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.924 172.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 11.5 ttm-85 -60.64 -34.97 75.06 Favored 'General case' 0 N--CA 1.461 0.09 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.566 ' HB3' ' O ' ' B' ' 29' ' ' ASP . 16.8 tptm -52.11 -46.82 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.835 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 83' ' ' ALA . 39.2 mt -74.12 -45.58 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.509 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.86 -31.31 72.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.343 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.3 m -58.25 -30.58 66.67 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.4 71.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.397 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 18.8 mt -65.8 -41.79 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.39 -25.55 65.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.999 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -88.06 -54.08 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.0 88.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.226 1.013 . . . . 0.0 111.917 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -132.6 6.3 4.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.185 171.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -113.01 122.56 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.68 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 7.1 pt-20 -104.75 150.37 24.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.022 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 pt -99.52 114.89 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 121.351 0.596 . . . . 0.0 111.312 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -90.78 122.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.682 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -84.34 140.95 31.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.205 0.526 . . . . 0.0 110.737 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.408 ' OE1' ' HA3' ' B' ' 51' ' ' GLY . 39.8 mt-10 -80.91 135.77 35.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.315 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.15 -29.64 70.96 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 123.396 0.435 . . . . 0.0 110.532 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.66 -26.85 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.878 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.22 66.49 0.2 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.408 ' HA3' ' OE1' ' B' ' 47' ' ' GLU . . . -162.92 -159.79 10.71 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.11 145.33 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.133 0.492 . . . . 0.0 111.415 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.62 142.07 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.089 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' B' ' 62' ' ' SER . 17.6 m120 -82.05 129.88 34.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 53.2 tt0 -152.21 142.02 21.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.249 0.547 . . . . 0.0 111.721 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.64 125.17 48.25 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 166.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.21 -3.3 3.74 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.773 HD23 ' HD2' ' B' ' 79' ' ' PRO . 10.2 mp -83.11 -3.87 57.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.499 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 65.2 m 74.31 21.67 2.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.081 0.552 . . . . 0.0 111.038 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLY . . . . . 0.552 ' HA2' ' HB3' ' B' ' 75' ' ' ALA . . . -79.04 -46.22 8.43 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.13 144.7 24.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 10.5 t -157.93 134.56 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.625 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.46 HG11 ' HA2' ' B' ' 69' ' ' GLY . 14.6 p -156.21 145.55 15.19 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.328 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.77 147.75 1.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.989 2.459 . . . . 0.0 112.153 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.474 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 0.5 OUTLIER -80.09 164.61 23.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.888 -175.463 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 71.81 11.93 6.25 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.646 0.591 . . . . 0.0 110.605 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.65 164.23 16.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.7 m -70.69 105.1 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.933 0.396 . . . . 0.0 110.751 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.46 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . -102.11 55.13 0.73 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.574 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.31 -36.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.657 0.265 . . . . 0.0 111.072 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.21 13.46 25.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.642 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.482 HG23 ' O ' ' B' ' 72' ' ' ILE . 0.0 OUTLIER -101.36 95.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.586 0.707 . . . . 0.0 110.558 -176.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 65.96 162.05 0.15 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.838 173.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -153.71 139.65 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.1 -0.375 . . . . 0.0 110.169 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' HA2' ' B' ' 60' ' ' GLY . . . -104.45 117.14 33.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ASP . . . . . 0.53 ' HB3' ' CE1' ' A' ' 5' ' ' HIS . 32.6 m-20 -73.07 -16.62 61.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.512 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 69.6 m -85.95 125.42 68.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.741 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.773 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.2 Cg_exo -57.54 -28.12 79.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.188 2.592 . . . . 0.0 112.952 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.416 HG23 HD22 ' B' ' 58' ' ' LEU . 61.7 t -64.35 -39.2 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.615 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 67.9 t -68.44 -40.14 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -75.75 -35.23 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.09 99.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.719 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 21.8 pttp -64.73 -28.07 69.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.576 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -75.57 -30.44 59.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.482 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 82' ' ' ILE . 70.9 mt -60.76 -50.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.444 176.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.611 ' HB2' ' HG3' ' B' ' 31' ' ' ARG . 4.6 pp -68.95 -18.08 64.03 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.401 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.5 m -85.35 -55.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.287 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t 68.71 -67.12 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.779 0.674 . . . . 0.0 111.472 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -170.23 83.16 0.58 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.916 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.35 73.09 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.863 2.375 . . . . 0.0 112.614 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.1 tttp 173.17 126.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.44 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 51.4 tp -69.17 140.47 54.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -87.35 80.01 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.97 101.38 8.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.1 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.099 -178.837 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.2 100.99 0.2 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.144 -1.027 . . . . 0.0 113.058 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -123.07 85.94 2.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -99.66 97.23 8.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.306 0.574 . . . . 0.0 111.217 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -122.22 93.72 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.772 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -103.94 113.39 26.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.798 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.74 -179.57 3.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.289 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -139.21 122.21 16.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.177 0.513 . . . . 0.0 111.875 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -145.21 166.05 26.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.137 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -133.77 -78.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.408 -0.517 . . . . 0.0 112.026 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -82.44 154.14 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.388 0.613 . . . . 0.0 112.236 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -104.29 177.2 4.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.31 175.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.24 161.42 19.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.775 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.23 104.4 16.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -110.09 108.73 19.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.827 0.346 . . . . 0.0 110.304 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -82.49 52.28 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.62 0.724 . . . . 0.0 111.379 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp -139.02 129.29 25.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.556 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -97.07 169.92 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -72.72 88.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.244 0.545 . . . . 0.0 112.381 -172.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -139.99 -85.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.13 69.46 1.34 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.9 tpt -73.97 145.48 44.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.358 . . . . 0.0 110.655 -172.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.74 0.4 20.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.917 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' B' ' 19' ' ' PHE . 35.6 t70 74.41 -41.73 0.48 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.764 0.826 . . . . 0.0 112.119 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -57.91 -16.68 12.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.107 0.48 . . . . 0.0 111.476 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -57.45 -27.24 62.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.84 65.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.181 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 9.6 tp10 -61.14 -45.77 93.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.472 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 7.6 m-20 -77.7 -31.31 52.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 0.0 111.225 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 26' ' ' ALA . 67.9 t -69.25 -33.87 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 36.0 ptt180 -73.22 -27.94 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.816 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 93.5 mttt -58.28 -50.91 71.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.708 0.289 . . . . 0.0 110.465 174.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.61 HG22 ' HB2' ' B' ' 79' ' ' PRO . 40.0 pt -69.16 -29.69 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.544 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HB1' ' HB1' ' A' ' 83' ' ' ALA . . . -64.97 -32.7 74.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.582 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -76.49 -30.3 57.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.039 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.93 -26.55 68.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.338 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.46 -43.45 98.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.688 ' HA ' HG12 ' A' ' 42' ' ' ILE . 9.7 mp -70.25 -26.16 63.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.608 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.661 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -76.3 -18.68 58.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.754 ' HB ' ' HB1' ' B' ' 41' ' ' ALA . 21.0 p -117.36 -54.22 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 -20.14 54.72 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.897 0.38 . . . . 0.0 111.386 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.688 HG12 ' HA ' ' A' ' 38' ' ' LEU . 28.6 mm -93.43 105.98 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -133.02 135.81 45.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.747 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -89.98 122.38 41.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.016 -175.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.46 109.56 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.463 0.649 . . . . 0.0 109.353 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 p -74.66 133.37 42.12 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.399 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.22 140.69 36.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.82 -27.56 68.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.84 -22.31 65.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.53 20.05 6.74 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.512 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.5 -167.22 23.66 Favored Glycine 0 N--CA 1.436 -1.311 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.45 124.94 3.7 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.916 0.389 . . . . 0.0 111.908 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -113.69 110.42 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.645 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 60.1 t30 -82.68 106.92 14.93 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -110.65 137.11 48.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.679 0.752 . . . . 0.0 112.371 -170.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 7.6 p -98.3 132.52 43.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 168.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -85.92 -131.85 0.05 Allowed 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp 67.06 -61.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.252 0.621 . . . . 0.0 111.366 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.52 -14.25 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.175 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.83 70.77 1.34 Allowed Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.722 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.94 144.63 50.95 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -100.65 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.099 0.476 . . . . 0.0 111.587 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.9 t -132.36 139.64 35.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.045 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.618 ' HD2' ' HB2' ' A' ' 70' ' ' ASP . 75.5 Cg_exo -51.62 128.55 26.49 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.67 2.247 . . . . 0.0 112.002 172.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -64.52 -41.39 96.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.372 -174.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.92 32.53 0.74 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 111.975 -173.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -142.41 149.14 38.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.3 t -66.28 -7.48 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.532 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.84 137.49 2.83 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.618 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 15.4 t70 -90.77 -11.88 38.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 0.0 109.618 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 58.04 36.93 26.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.317 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.65 144.52 5.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.771 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -58.39 141.68 50.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.442 0.639 . . . . 0.0 111.613 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -125.28 174.43 8.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.671 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB3' ' SG ' ' A' ' 78' ' ' CYS . . . -68.52 147.57 51.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.725 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.17 -17.98 64.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.212 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.891 ' HA ' ' HA ' ' B' ' 12' ' ' SER . 14.7 t70 -89.4 -1.6 58.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.58 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 95.7 m -83.5 124.7 75.3 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.289 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 31.1 Cg_exo -62.52 -17.44 58.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.127 2.552 . . . . 0.0 112.265 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.07 -31.02 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.993 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 54.7 t -63.04 -40.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.635 HD11 ' H ' ' B' ' 14' ' ' ARG . 50.3 mm -65.34 -45.81 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' HB1' ' HB1' ' A' ' 34' ' ' ALA . . . -58.49 -38.88 78.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.254 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -66.21 -38.92 89.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.53 ' HG2' ' HD3' ' A' ' 92' ' ' LYS . 79.4 mt-30 -58.38 -43.93 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.25 -49.45 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.536 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 4.4 pp -72.18 -16.05 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.432 -177.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.5 m -77.39 -37.63 51.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.656 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t 61.1 28.63 18.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.65 0.738 . . . . 0.0 109.73 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -140.25 140.55 23.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.415 -170.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.9 107.24 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.745 2.297 . . . . 0.0 111.675 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.53 ' HD3' ' HG2' ' A' ' 85' ' ' GLN . 60.7 tttm -92.0 -15.37 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.091 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.551 ' H ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.95 141.56 31.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -121.9 -78.16 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.192 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.37 95.88 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.243 -0.885 . . . . 0.0 109.897 -179.186 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.53 -66.83 0.44 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.674 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -47.18 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m 63.14 171.42 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 O-C-N 123.344 0.403 . . . . 0.0 112.058 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 m80 68.41 160.29 0.18 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.446 0.699 . . . . 0.0 112.595 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -157.84 153.0 25.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.494 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -130.09 168.95 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.995 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 73.58 13.34 4.46 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.917 0.76 . . . . 0.0 111.502 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -90.09 101.91 14.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -124.56 86.87 2.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.447 ' OG ' ' HE2' ' B' ' 32' ' ' LYS . 3.6 t -151.77 33.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . 0.891 ' HA ' ' HA ' ' A' ' 77' ' ' ASP . 4.6 m -54.17 155.82 3.45 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.129 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.85 -174.28 45.49 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.983 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.635 ' H ' HD11 ' A' ' 82' ' ' ILE . 9.9 ptp85 -150.68 150.97 31.77 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.78 80.87 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -168.32 154.36 7.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.524 -171.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.6 tp 76.09 151.42 0.12 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.233 0.958 . . . . 0.0 111.878 172.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -143.2 178.85 7.43 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.676 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 64.1 m-85 -84.65 7.55 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -72.61 -25.05 61.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.372 0.606 . . . . 0.0 110.168 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.2 118.66 0.66 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.1 mtt -117.47 179.52 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 0.0 111.289 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -125.11 -179.02 4.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.174 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.34 -46.35 87.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.808 -173.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 -16.68 64.51 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -61.59 -31.3 71.35 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.788 0.328 . . . . 0.0 111.344 -177.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.27 69.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.352 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.1 -40.14 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.24 -31.99 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.496 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 26' ' ' ALA . 62.1 t -62.24 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.224 0.535 . . . . 0.0 109.837 173.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.49 -40.23 95.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.315 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.447 ' HE2' ' OG ' ' B' ' 11' ' ' SER . 40.1 ttmt -53.1 -47.01 68.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.569 -176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.62 -38.65 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 111.627 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.56 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.454 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -74.69 -29.56 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.692 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.525 ' O ' HG22 ' B' ' 40' ' ' THR . . . -55.23 -41.35 71.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.133 0.492 . . . . 0.0 109.769 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.668 HD21 HG13 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -54.84 -51.81 64.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.883 174.473 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.517 ' HG ' HD12 ' B' ' 42' ' ' ILE . 8.0 tt -62.19 -31.01 71.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.219 0.533 . . . . 0.0 110.888 -176.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -85.05 -47.53 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.525 HG22 ' O ' ' B' ' 36' ' ' ALA . 11.0 t -107.27 -7.17 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -171.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.754 ' HB1' ' HB ' ' A' ' 40' ' ' THR . . . -110.59 -9.15 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.986 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.517 HD12 ' HG ' ' B' ' 38' ' ' LEU . 55.5 mt -103.65 140.74 20.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.506 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -115.86 138.13 51.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.558 -177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.94 128.48 61.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.598 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' B' ' 53' ' ' HIS . 6.8 m -100.81 105.99 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.6 p -108.76 139.72 43.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.096 -172.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.7 170.88 15.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.436 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.18 -71.78 0.11 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.441 0.639 . . . . 0.0 111.05 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -115.3 -2.71 12.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.352 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.37 -124.28 0.81 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.399 -177.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.62 -149.98 13.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.786 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -145.46 145.61 31.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.602 ' HB2' HG23 ' B' ' 45' ' ' VAL . 55.9 m-70 -119.66 110.75 17.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.285 0.564 . . . . 0.0 110.419 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.54 ' O ' ' HA ' ' B' ' 62' ' ' SER . 35.9 t30 -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.695 ' HG2' ' HB3' ' B' ' 62' ' ' SER . 42.8 mt-30 -102.75 117.37 34.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.7 112.48 6.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 57' ' ' LYS . 3.2 tmmm? -82.97 72.29 10.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -170.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 40' ' ' THR . 9.4 tp -178.99 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.886 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.9 t -94.91 -15.62 23.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.22 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.94 30.92 62.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.21 135.97 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.695 ' HB3' ' HG2' ' B' ' 55' ' ' GLN . 38.9 p -125.76 146.35 49.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.481 . . . . 0.0 111.467 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.758 ' HB ' HG13 ' B' ' 72' ' ' ILE . 10.2 p -130.86 143.49 49.59 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.952 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' B' ' 65' ' ' TRP . 36.7 Cg_exo -62.75 5.28 0.28 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.184 2.59 . . . . 0.0 113.84 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' B' ' 64' ' ' PRO . 56.4 t-105 75.73 -52.63 0.63 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.507 0.723 . . . . 0.0 112.54 172.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' B' ' 66' ' ' LEU . 3.9 mm? -57.46 -39.18 75.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.61 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.471 HG21 ' O ' ' B' ' 71' ' ' GLU . 6.3 t -178.95 148.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.711 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.73 -7.86 35.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.582 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.15 -61.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.471 ' O ' HG21 ' B' ' 68' ' ' THR . 9.6 tp10 -95.1 77.38 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.551 0.691 . . . . 0.0 111.966 -173.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.758 HG13 ' HB ' ' B' ' 63' ' ' VAL . 0.0 OUTLIER -95.96 152.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.524 ' N ' HD13 ' B' ' 72' ' ' ILE . 12.9 tptm -50.61 108.3 0.22 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.483 ' CD2' HG11 ' B' ' 81' ' ' VAL . 7.5 p-80 -113.43 152.6 29.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.699 -162.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.3 124.58 28.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 165.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -80.21 1.87 26.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.502 0.668 . . . . 0.0 111.137 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.52 1.33 53.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.818 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.06 123.65 56.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.61 ' HB2' HG22 ' A' ' 33' ' ' ILE . 19.2 Cg_endo -60.43 -30.13 90.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.034 2.489 . . . . 0.0 112.414 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.668 HG13 HD21 ' B' ' 37' ' ' LEU . 60.1 t -59.69 -30.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 110.682 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' B' ' 74' ' ' HIS . 89.4 t -72.83 -51.39 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.02 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.46 ' O ' HG13 ' B' ' 86' ' ' ILE . 1.3 pp -65.17 -32.17 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.2 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.429 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 99.1 mttt -64.03 -38.27 90.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.174 0.512 . . . . 0.0 110.275 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.92 -34.47 77.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.28 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.8 mt -75.37 -42.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.4 pp -76.48 5.56 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -173.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.6 t -67.36 175.55 2.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.498 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m 62.78 -153.06 0.34 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 50.34 83.39 0.22 Allowed Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 122.92 0.488 . . . . 0.0 112.075 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.87 121.36 7.82 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.925 2.416 . . . . 0.0 112.562 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -166.39 137.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.12 77.37 1.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -169.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 55.69 103.32 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 167.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.51 102.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.242 0.707 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.346 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.572 ' HG2' HD11 ' A' ' 44' ' ' ILE . 15.9 tpt . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.0 147.4 36.36 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.005 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -107.05 155.61 19.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.732 0.301 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 t -136.47 126.35 25.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -122.3 -50.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m80 57.71 98.84 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 171.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.75 83.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.043 170.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -174.97 41.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.83 -171.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -72.31 176.01 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.691 -173.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -142.22 161.7 37.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 p -71.8 159.84 33.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 t -94.31 157.72 15.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.46 169.58 40.07 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -164.32 114.19 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -131.54 172.06 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.523 0.201 . . . . 0.0 110.492 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.594 ' OD1' ' HD3' ' B' ' 90' ' ' ARG . 7.9 t30 -65.28 160.82 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 172.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -48.15 98.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.583 0.552 . . . . 0.0 111.871 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -99.54 23.62 9.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 122.087 0.946 . . . . 0.0 109.73 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' HB3' ' B' ' 26' ' ' ALA . 89.5 m-85 -79.84 19.26 0.7 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.594 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -71.66 -46.89 57.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.96 144.59 12.8 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.3 mmt -117.77 -179.44 3.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.072 0.436 . . . . 0.0 110.858 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -157.99 -167.74 2.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -44.51 -63.33 0.92 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.192 0.997 . . . . 0.0 113.256 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -70.47 -23.14 62.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.717 -171.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.53 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.952 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -51.25 61.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.361 -177.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.4 -35.43 79.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.657 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 26' ' ' ALA . 95.8 t -64.52 -46.04 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.037 0.446 . . . . 0.0 110.307 175.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.77 -36.96 77.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.186 0.517 . . . . 0.0 110.089 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HB2' ' HZ2' ' A' ' 32' ' ' LYS . 4.5 ttmp? -62.37 -55.4 28.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.18 -35.06 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.54 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.37 93.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.016 0.436 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -69.13 -36.37 77.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.15 -50.82 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.276 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD22 ' O ' ' B' ' 33' ' ' ILE . 4.2 pp -64.72 -32.83 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.04 -48.83 69.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -69.18 -17.93 63.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.87 -177.014 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.411 HG22 ' O ' ' B' ' 41' ' ' ALA . 5.8 m -96.56 -29.34 13.93 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.034 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 -18.58 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.81 100.14 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.986 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -143.57 152.07 40.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.298 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.572 HD11 ' HG2' ' A' ' 1' ' ' MET . 42.3 pt -87.92 121.32 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.387 0.613 . . . . 0.0 110.918 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.51 142.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.997 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -84.47 131.87 34.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.299 0.571 . . . . 0.0 111.726 -174.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -98.55 132.22 44.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.949 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.53 -19.07 65.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.491 0.662 . . . . 0.0 109.926 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.08 -30.8 60.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.916 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 35.6 1.48 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.853 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.6 -155.83 7.26 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 121.098 -0.573 . . . . 0.0 111.834 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.24 149.0 20.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.023 0.439 . . . . 0.0 111.205 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -124.58 134.45 52.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 51.7 t-20 -90.84 106.48 18.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -122.91 119.74 31.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.419 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.3 p -70.94 119.83 15.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.305 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' B' ' 40' ' ' THR . 20.5 mtpp -77.59 4.39 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.515 HD23 HG23 ' A' ' 80' ' ' VAL . 12.3 tp -106.05 -10.62 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.4 m -145.59 -32.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.152 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -6.61 35.14 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.388 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.84 147.29 37.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.615 0.245 . . . . 0.0 110.676 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.2 m -114.13 147.87 38.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.779 ' HB ' HD11 ' A' ' 72' ' ' ILE . 10.0 p -137.76 154.18 74.51 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.591 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 65.3 Cg_exo -38.53 128.04 1.12 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.78 2.32 . . . . 0.0 112.638 170.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.654 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 5.0 p90 -65.7 163.89 15.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.133 -175.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 66' ' ' LEU . 1.9 tm? 76.6 -34.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.335 0.654 . . . . 0.0 111.297 174.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' A' ' 68' ' ' THR . 4.9 tt0 -77.4 173.69 11.66 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.732 0.301 . . . . 0.0 111.218 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.4 ' H ' ' HG2' ' A' ' 67' ' ' GLN . 12.4 t -71.98 -17.74 62.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.69 67.28 2.1 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.95 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.97 -10.07 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.886 0.851 . . . . 0.0 109.619 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -93.7 13.06 23.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.779 HD11 ' HB ' ' A' ' 63' ' ' VAL . 35.1 mm -72.76 129.76 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.098 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -68.89 102.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -105.73 161.25 14.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.597 -163.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 78' ' ' CYS . . . -70.29 151.7 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.283 170.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.4 -43.08 99.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.995 0.426 . . . . 0.0 111.59 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -104.38 15.62 27.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.502 -174.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.0 t -54.66 124.6 50.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.011 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.561 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . 52.4 Cg_exo -54.52 -31.63 70.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.34 2.693 . . . . 0.0 113.296 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG23 HD23 ' A' ' 58' ' ' LEU . 85.0 t -59.71 -40.09 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.11 0.481 . . . . 0.0 110.549 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 t -67.97 -41.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.179 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.93 -48.35 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.76 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.723 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.05 -40.04 94.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.441 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -61.92 -45.56 93.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.41 -46.38 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.14 -14.43 61.82 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.678 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 m -90.53 -29.3 17.96 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.366 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p 59.57 164.54 0.05 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 112.593 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 55.08 79.39 0.34 Allowed Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.02 129.45 15.25 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.348 2.032 . . . . 0.0 112.732 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -118.98 99.46 6.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.35 100.96 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -100.53 -25.22 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.374 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.15 145.68 46.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.727 179.138 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.577 0.227 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.48 -111.31 2.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.781 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -124.01 25.88 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 7.7 m -57.78 112.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.432 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 73.38 -44.6 0.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.9 0.88 . . . . 0.0 111.611 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -79.18 104.32 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.757 0.313 . . . . 0.0 110.366 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -82.12 124.91 30.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.134 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -79.08 -31.55 44.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -165.54 154.71 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -103.02 -67.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.058 0.456 . . . . 0.0 110.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -98.31 109.33 22.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.214 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 30.9 m -127.37 47.72 2.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.119 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.29 68.03 1.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.399 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -119.56 120.04 35.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.25 166.84 10.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.18 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.07 177.98 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.776 173.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 tp -118.19 30.91 6.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.111 0.481 . . . . 0.0 110.241 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 18.1 t80 65.03 162.24 0.13 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.393 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -58.96 -29.07 66.89 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.73 -15.44 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.715 0.293 . . . . 0.0 111.624 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.92 -64.34 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.507 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.671 ' SD ' ' HB2' ' B' ' 26' ' ' ALA . 18.3 mmt 69.1 160.32 0.19 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.689 0.796 . . . . 0.0 112.36 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' B' ' 24' ' ' ASP . 12.2 t -158.29 39.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.945 0.878 . . . . 0.0 110.072 -174.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 23' ' ' THR . 21.4 t70 79.35 -33.93 0.15 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.27 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -56.92 -17.94 11.49 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.671 ' HB2' ' SD ' ' B' ' 22' ' ' MET . . . -56.75 -35.56 68.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.432 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.89 68.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.472 . . . . 0.0 110.643 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -49.81 11.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.788 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 26.2 m-20 -62.49 -39.76 94.52 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.17 -41.59 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.428 . . . . 0.0 110.406 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -37.74 86.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 0.0 110.025 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 35.6 ttmt -57.5 -55.51 33.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.329 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 79' ' ' PRO . 36.5 pt -69.18 -32.88 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.37 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -65.91 -44.56 84.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -58.57 -29.03 66.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.535 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -43.46 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.062 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.5 pp -77.37 -24.56 50.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 0.0 110.809 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.9 -32.43 65.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.569 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.38 -58.07 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.464 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 3.3 t -176.18 85.51 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.065 0.936 . . . . 0.0 110.946 177.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.679 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.48 -27.95 14.2 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.181 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.2 mt -87.54 155.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.54 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.1 146.4 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.79 -174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.587 HG23 ' HB1' ' B' ' 52' ' ' ALA . 9.2 mm -98.75 117.4 43.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.013 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 53' ' ' HIS . 17.5 m -99.41 120.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.4 m -95.31 141.37 28.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.257 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.44 160.6 14.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.612 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.73 -40.68 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.594 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -57.15 -51.8 67.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.128 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.65 70.37 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.771 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.36 -175.04 47.14 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.587 ' HB1' HG23 ' B' ' 44' ' ' ILE . . . -151.12 171.29 17.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.581 0.229 . . . . 0.0 110.546 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.437 ' HB2' HG23 ' B' ' 45' ' ' VAL . 90.5 m-70 -137.47 137.11 38.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.431 ' HB3' HG13 ' B' ' 63' ' ' VAL . 61.0 t30 -117.86 105.29 11.79 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -114.17 127.41 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 111.705 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.5 t -86.3 112.87 21.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.893 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.4 OUTLIER -75.57 -21.15 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.356 . . . . 0.0 111.047 -170.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -84.54 -21.54 30.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -111.54 -30.11 7.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.36 6.95 73.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.615 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.32 138.81 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.643 0.258 . . . . 0.0 110.438 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -127.53 133.6 49.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' B' ' 67' ' ' GLN . 4.7 p -129.24 122.08 20.88 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.02 92.85 0.72 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.245 1.963 . . . . 0.0 113.56 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 15.9 t90 51.82 -93.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.751 171.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.69 94.64 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.535 0.683 . . . . 0.0 110.84 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.489 ' HB3' ' CG2' ' B' ' 63' ' ' VAL . 44.8 tp60 -141.41 168.22 20.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.392 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -47.67 78.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.68 0.276 . . . . 0.0 111.381 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.21 -52.99 0.72 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.085 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.47 ' OD1' ' HD2' ' B' ' 74' ' ' HIS . 25.2 t70 -84.87 14.2 5.08 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.392 0.596 . . . . 0.0 111.693 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -75.39 -6.19 48.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tp -103.8 -5.18 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.45 0.643 . . . . 0.0 109.493 174.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.915 ' HA ' ' HE3' ' B' ' 73' ' ' LYS . 0.9 OUTLIER 65.07 108.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.047 -179.102 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.47 ' HD2' ' OD1' ' B' ' 70' ' ' ASP . 20.2 p80 -57.18 129.07 40.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.562 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.88 117.0 29.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.754 175.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.539 ' HA ' HG21 ' B' ' 81' ' ' VAL . 74.8 m-20 -80.77 -7.54 59.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.769 -172.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.2 -1.34 32.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 70.7 m -90.65 136.04 28.46 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.96 -21.09 56.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.196 2.597 . . . . 0.0 112.765 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.06 -30.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.539 HG21 ' HA ' ' B' ' 76' ' ' ASP . 60.3 t -73.29 -34.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 109.914 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 86' ' ' ILE . 41.1 mm -57.86 -47.35 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.872 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.71 78.06 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.104 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.47 -38.78 81.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.325 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.54 -34.04 60.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 82' ' ' ILE . 71.4 mt -65.67 -44.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.62 -1.67 32.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.201 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -96.11 19.44 11.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.468 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p -80.7 73.62 7.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.166 0.508 . . . . 0.0 111.398 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.594 ' HD3' ' OD1' ' A' ' 16' ' ' ASN . 34.5 mtp-105 61.12 84.98 0.19 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.942 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -86.86 -172.23 0.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.764 2.309 . . . . 0.0 111.6 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -83.18 61.63 6.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 49.1 tp 55.3 -98.66 0.09 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.396 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 178.91 94.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.22 116.5 28.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.255 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.248 -179.848 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.901 0.382 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.76 57.48 0.46 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -92.95 -44.3 8.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.578 0.228 . . . . 0.0 110.752 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.1 m -68.07 100.59 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -143.94 83.44 1.75 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.19 106.93 13.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -167.45 136.12 2.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.828 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -141.31 105.51 4.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -65.65 100.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.551 0.691 . . . . 0.0 110.805 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -126.61 87.28 2.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.743 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -110.0 135.96 50.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.545 ' HA ' ' OXT' ' B' ' 96' ' ' VAL . 4.9 t -65.46 135.81 55.66 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 -176.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.86 162.57 17.38 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.149 -174.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -144.04 95.81 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.962 0.41 . . . . 0.0 109.962 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HG2' HD22 ' A' ' 16' ' ' ASN . 32.0 tt0 -142.6 -85.04 0.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.402 HD22 ' HG2' ' A' ' 15' ' ' GLU . 53.6 m-80 -131.66 121.34 24.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -144.55 -83.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.213 0.53 . . . . 0.0 111.131 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -81.12 179.22 7.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.102 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 97.5 m-85 -54.2 152.09 6.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 61.4 tt0 76.02 6.78 3.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.034 0.834 . . . . 0.0 110.071 -175.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.58 64.87 0.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.786 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -106.9 129.85 54.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 -178.057 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -103.89 -68.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.101 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -161.96 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -59.85 -22.58 62.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.38 -20.72 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.233 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.448 ' HA ' ' CZ ' ' B' ' 19' ' ' PHE . . . -72.79 -29.2 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.066 0.46 . . . . 0.0 110.485 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -71.23 -33.28 69.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.917 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' B' ' 86' ' ' ILE . 22.1 t70 -73.52 -53.62 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.392 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG21 ' HZ ' ' B' ' 19' ' ' PHE . 35.2 m -67.46 -32.99 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.754 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.738 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.1 ttp180 -68.35 -30.17 69.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.258 0.551 . . . . 0.0 109.87 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB2' ' HE2' ' A' ' 32' ' ' LYS . 21.0 ttmm -69.6 -50.4 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.614 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 HD13 HD12 ' B' ' 86' ' ' ILE . 31.0 pt -65.73 -33.55 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.729 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.73 82.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.241 0.543 . . . . 0.0 110.724 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -74.76 -38.99 62.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.9 94.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.925 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HA ' HG22 ' A' ' 40' ' ' THR . 4.6 pp -66.74 -24.9 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.49 -31.95 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.692 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.0 -16.87 39.38 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.372 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.0 t -97.54 -17.0 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.566 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.21 -14.54 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.767 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.2 mm -112.94 91.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.916 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.82 152.36 49.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.417 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.792 HD11 ' HB1' ' A' ' 52' ' ' ALA . 12.6 tt -126.95 122.27 59.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.643 0.735 . . . . 0.0 111.598 -174.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 53' ' ' HIS . 2.5 m -96.82 106.46 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.006 173.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 34.0 t -100.21 139.64 35.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.22 0.533 . . . . 0.0 111.084 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.16 141.64 32.89 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.02 -36.75 75.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.113 0.483 . . . . 0.0 110.278 -173.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.36 107.0 2.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.043 171.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.97 -17.51 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.048 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.04 138.51 3.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.134 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.792 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -98.4 135.27 40.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.764 0.316 . . . . 0.0 110.422 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' HB2' HG23 ' A' ' 45' ' ' VAL . 78.7 m-70 -115.57 108.31 16.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.878 -175.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.621 ' H ' ' CG2' ' A' ' 63' ' ' VAL . 6.8 t30 -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -107.22 113.64 27.19 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.45 0.643 . . . . 0.0 110.983 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.898 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 43.1 t -99.79 89.09 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.23 23.85 9.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.498 -171.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -74.24 -48.75 26.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.9 p -115.04 -53.08 2.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.104 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.12 69.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.391 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.898 ' HB3' ' HB3' ' A' ' 56' ' ' CYS . . . -117.7 159.04 23.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.591 0.234 . . . . 0.0 110.584 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.426 ' H ' HG21 ' A' ' 72' ' ' ILE . 17.0 m -100.31 -169.95 1.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 111.429 -174.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.621 ' CG2' ' H ' ' A' ' 54' ' ' ASN . 1.5 p -96.13 119.54 64.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.152 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -88.24 6.4 4.89 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.271 2.647 . . . . 0.0 113.068 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.463 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 33.0 t-105 -75.18 -151.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.57 65.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.408 0.623 . . . . 0.0 110.819 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -164.76 150.03 9.82 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -74.82 81.98 2.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.92 14.31 1.52 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.771 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.79 -31.56 71.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.36 0.6 . . . . 0.0 109.784 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.52 91.03 6.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.0 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.642 HG12 ' HA ' ' A' ' 61' ' ' ALA . 10.8 tp -158.82 153.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.001 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 5.8 tptm -110.16 161.91 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 35.3 m80 -97.42 0.31 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.324 -0.15 . . . . 0.0 110.953 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . 77.04 132.24 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.328 1.017 . . . . 0.0 110.331 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.11 -20.9 55.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.1 14.56 23.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.35 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.555 ' SG ' HG22 ' A' ' 80' ' ' VAL . 32.1 p -66.93 158.72 79.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.81 -26.36 15.88 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.945 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG22 ' SG ' ' A' ' 78' ' ' CYS . 29.7 m -67.82 -30.57 48.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG13 ' SG ' ' A' ' 78' ' ' CYS . 15.8 m -64.51 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.775 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' ' 86' ' ' ILE . 51.9 mm -68.41 -44.87 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.064 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.23 87.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.95 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -63.59 -37.48 87.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.477 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.01 -37.78 84.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 82' ' ' ILE . 71.5 mt -70.54 -42.13 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.498 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.738 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -73.84 -17.37 61.07 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -78.72 -32.71 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.387 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 48.7 m 62.63 -174.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.375 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 89' ' ' SER . 68.5 mtp180 70.04 151.77 0.13 Allowed Pre-proline 0 N--CA 1.466 0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.358 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.476 ' O ' ' HB2' ' A' ' 92' ' ' LYS . 37.8 Cg_endo -69.37 171.73 13.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.536 2.158 . . . . 0.0 110.798 168.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 91' ' ' PRO . 28.7 mtpp 71.51 155.7 0.15 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.814 0.697 . . . . 0.0 110.756 -173.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.0 mt 68.19 153.97 0.1 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.792 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -164.94 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.197 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.21 -168.64 0.2 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.278 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.706 178.629 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' B' ' 70' ' ' ASP . 88.5 mtp . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.9 16.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.85 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -96.58 126.55 41.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.929 0.395 . . . . 0.0 110.745 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.8 m -148.15 95.96 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.165 0.507 . . . . 0.0 109.99 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -84.1 -22.89 30.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.729 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -78.9 83.37 5.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.658 0.742 . . . . 0.0 112.931 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -139.73 72.0 1.39 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 165.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -93.92 115.69 28.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.736 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -172.25 103.4 0.17 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.004 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -78.31 88.69 4.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.335 0.588 . . . . 0.0 111.232 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.7 m -146.46 96.12 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -89.45 107.82 19.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.31 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.39 173.75 43.28 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.812 -0.708 . . . . 0.0 113.73 172.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.633 ' HB2' ' HB ' ' B' ' 25' ' ' THR . 0.6 OUTLIER -142.24 -74.45 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -142.8 117.22 9.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.687 -1.142 . . . . 0.0 107.951 170.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -141.54 131.28 24.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.438 0.637 . . . . 0.0 111.656 -175.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.8 30.03 7.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.773 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 33.1 t80 53.03 78.16 0.15 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.012 -170.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 27' ' ' ALA . 97.3 m-85 69.35 178.98 0.25 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.135 -176.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.66 -62.67 0.18 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.278 0.631 . . . . 0.0 109.958 -166.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.4 87.39 0.61 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 tpt -134.23 125.6 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 11.8 t -123.98 -171.18 2.27 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.84 -54.42 15.3 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.708 1.203 . . . . 0.0 114.027 -173.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.633 ' HB ' ' HB2' ' B' ' 14' ' ' ARG . 1.5 m -70.41 -1.39 10.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -168.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.36 -23.21 40.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.224 0.535 . . . . 0.0 109.933 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.89 -26.63 66.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.569 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -51.82 -53.04 44.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.3 -44.43 52.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.855 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.79 -42.42 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.558 ' HG2' ' HA ' ' B' ' 87' ' ' LEU . 82.3 mtp180 -68.76 -30.27 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.076 -0.39 . . . . 0.0 110.789 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -65.47 -46.59 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.017 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.4 pt -65.96 -32.82 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.33 -32.91 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.219 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -73.81 -30.48 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 0.0 110.813 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.33 86.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.882 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.99 -25.14 65.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 111.33 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' B' ' 84' ' ' LYS . 6.7 tt -77.75 -31.49 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.256 0.551 . . . . 0.0 109.546 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -76.93 -51.8 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.5 t -154.96 82.03 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.016 0.912 . . . . 0.0 112.015 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.1 17.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.52 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.425 HG22 ' OD1' ' B' ' 54' ' ' ASN . 39.9 mt -123.96 126.45 72.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.419 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -106.64 166.97 10.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.279 0.561 . . . . 0.0 111.784 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.525 ' O ' HD12 ' B' ' 44' ' ' ILE . 1.8 pp -111.63 134.78 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.697 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 m -104.8 121.37 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.262 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 5.0 m -102.52 124.24 47.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.05 0.452 . . . . 0.0 111.842 -172.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.83 133.46 44.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.883 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.6 -40.37 78.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.095 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -116.2 116.32 27.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.431 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -63.77 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.091 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.78 175.1 14.06 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -91.72 127.12 37.06 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.823 0.344 . . . . 0.0 110.086 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.565 ' HB3' ' HB2' ' B' ' 62' ' ' SER . 87.2 m-70 -107.53 126.14 52.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.834 -176.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.425 ' OD1' HG22 ' B' ' 42' ' ' ILE . 5.7 t-20 -87.09 105.95 17.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 174.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.74 120.02 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 112.143 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.5 t -74.74 108.64 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.794 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 40' ' ' THR . 59.4 tptt -60.8 -35.17 75.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.937 -175.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.486 HD13 ' HG2' ' B' ' 79' ' ' PRO . 95.3 mt -96.38 8.32 44.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.4 t -134.5 -27.08 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.58 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.66 48.7 7.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.369 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.8 138.79 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' B' ' 53' ' ' HIS . 2.2 p -113.53 137.98 50.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.025 0.441 . . . . 0.0 111.598 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.64 144.92 45.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.287 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -42.81 140.98 2.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.253 2.635 . . . . 0.0 112.889 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 13.4 p-90 -65.28 174.67 1.98 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp 80.36 -31.05 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.815 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -92.84 173.86 7.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.713 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . 1.006 ' HB ' ' HG3' ' B' ' 71' ' ' GLU . 15.5 m -84.43 137.55 33.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.694 -177.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.37 -22.97 66.07 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.241 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' B' ' 1' ' ' MET . 35.2 t70 -98.27 14.46 27.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.366 0.603 . . . . 0.0 110.831 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 1.006 ' HG3' ' HB ' ' B' ' 68' ' ' THR . 33.9 mt-10 -81.55 -28.28 33.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.379 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 11.1 tt -86.02 136.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 30.9 mmtp -61.52 132.75 54.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 111.05 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.465 ' NE2' ' HA ' ' B' ' 70' ' ' ASP . 72.7 m-70 -109.04 177.6 4.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.212 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 147.24 42.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.662 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.0 -13.35 60.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.78 0.8 . . . . 0.0 108.986 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.17 -5.66 58.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.543 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.494 ' SG ' HG23 ' B' ' 81' ' ' VAL . 16.3 p -92.54 144.19 28.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 -174.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.486 ' HG2' HD13 ' B' ' 58' ' ' LEU . 21.1 Cg_endo -62.95 -16.93 57.35 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.03 2.487 . . . . 0.0 112.818 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' B' ' 58' ' ' LEU . 60.5 t -58.94 -46.5 91.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.19 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.494 HG23 ' SG ' ' B' ' 78' ' ' CYS . 94.9 t -65.16 -40.63 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.3 mm -59.04 -50.32 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.243 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.37 -51.88 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.649 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 56.3 pttt -71.07 -26.74 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 111.447 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' B' ' 82' ' ' ILE . 27.4 tt0 -61.0 -39.8 91.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.56 173.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.518 HD12 HD13 ' A' ' 33' ' ' ILE . 77.6 mt -74.99 -43.3 45.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.671 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.649 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -67.06 -16.46 64.36 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.849 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.1 m -85.78 96.32 9.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 6.1 p -65.01 114.48 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.047 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.431 ' HE ' ' HB3' ' B' ' 90' ' ' ARG . 6.1 mtp180 63.56 74.82 0.42 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.86 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.59 167.3 10.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.183 1.922 . . . . 0.0 110.975 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -85.64 -6.82 59.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 110.579 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.74 139.51 32.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.569 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -129.64 132.28 46.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.498 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.81 159.93 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.531 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.545 ' OXT' ' HA ' ' A' ' 12' ' ' SER . 47.2 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.878 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.607 0.241 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.89 119.01 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.216 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -101.38 2.74 39.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.541 . . . . 0.0 110.613 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.0 t -111.07 124.64 52.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -146.57 142.28 27.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.765 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 9' ' ' HIS . 20.8 m-70 -82.44 149.17 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.33 -11.83 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.546 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 93.5 m-70 -125.09 -68.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.739 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 6' ' ' HIS . 44.3 p-80 47.41 42.39 14.11 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.553 0.692 . . . . 0.0 111.302 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.6 t60 68.06 31.68 5.34 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.092 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -86.37 -6.65 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 109.341 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -147.12 171.46 15.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.132 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.8 64.52 0.82 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.383 -177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -87.52 -6.79 58.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.44 160.66 33.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.068 -171.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -118.19 139.13 51.73 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -127.06 -169.64 2.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.936 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.546 ' OE1' ' HB2' ' A' ' 8' ' ' HIS . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 1.119 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.731 HG23 HG23 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.63 106.38 19.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 m -97.21 160.4 14.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.241 -171.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.73 143.57 26.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.019 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.799 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -99.99 -34.1 10.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.92 -122.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.509 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.83 -167.17 12.38 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.269 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -79.66 147.71 31.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.111 0.482 . . . . 0.0 111.506 -176.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.52 133.24 34.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.673 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 23.8 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.673 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 94.36 174.64 38.85 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.9 t70 70.73 -56.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.328 0.564 . . . . 0.0 111.424 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -75.82 71.32 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.736 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.3 pt -131.59 106.53 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.334 0.587 . . . . 0.0 111.07 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.6 103.52 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.775 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 61' ' ' ALA . 11.5 t-160 -108.0 -7.49 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HA ' HG21 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.657 HD11 HD22 ' B' ' 16' ' ' ASN . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.119 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 52.3 mtt180 53.83 80.9 0.27 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.85 -168.69 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.317 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -72.58 81.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.752 . . . . 0.0 110.438 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -143.6 138.62 29.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.32 105.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.149 0.5 . . . . 0.0 111.536 -174.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.01 134.69 22.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.739 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.233 -177.792 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.82 41.93 0.21 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.92 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -84.22 80.71 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 111.552 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 12.0 m -77.96 110.37 12.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -129.01 111.09 12.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -122.54 146.32 47.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -80.43 167.86 19.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -173.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -153.81 107.2 2.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 0.0 109.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -109.86 12.36 23.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -122.69 112.15 17.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.873 0.368 . . . . 0.0 110.968 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -148.43 118.63 7.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.685 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -146.05 83.33 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.25 0.548 . . . . 0.0 110.543 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.44 54.29 0.72 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.94 -28.65 60.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.848 0.356 . . . . 0.0 111.448 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -99.71 104.27 15.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.306 -173.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.657 HD22 HD11 ' A' ' 82' ' ' ILE . 44.1 t-20 -144.87 117.37 8.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.046 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.1 67.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 66.52 145.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.512 ' HG2' ' HB2' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.936 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.635 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.435 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.802 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.497 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.555 HG21 HD13 ' B' ' 72' ' ' ILE . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.63 -29.96 8.56 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' OD2' ' HG2' ' B' ' 73' ' ' LYS . 21.3 t70 66.61 10.23 7.25 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 111.208 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.68 9.1 0.76 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.168 0.987 . . . . 0.0 112.831 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.555 HD13 HG21 ' B' ' 63' ' ' VAL . 44.0 mm 62.18 100.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.197 0.311 . . . . 0.0 110.59 -175.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 31.6 mmtp -59.04 126.1 26.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.319 0.581 . . . . 0.0 109.912 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -144.23 166.47 24.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.024 -163.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.537 ' HB2' HG23 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG22 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.587 HG13 HD13 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.513 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.592 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p -71.67 92.64 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 37.0 ptt180 -157.75 136.3 7.75 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.984 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 4.8 Cg_exo -74.82 92.6 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.555 2.17 . . . . 0.0 111.172 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -84.64 98.99 10.5 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt -121.96 87.81 2.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.537 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -138.91 91.43 2.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.76 108.96 17.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.76 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.253 1.256 0 O-C-N 123.744 0.653 . . . . 0.0 110.931 -177.607 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.922 0.392 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.09 116.46 3.97 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.071 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -158.83 82.15 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.376 0.607 . . . . 0.0 111.393 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 p -83.86 90.56 7.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.954 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -132.21 99.16 4.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -173.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -69.14 139.14 54.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -150.13 31.68 0.68 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.932 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -173.97 90.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.551 0.215 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -109.67 82.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.467 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -168.56 116.78 0.69 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -111.86 156.58 21.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -152.74 133.71 14.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.632 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.58 -131.61 7.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.916 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' ARG . 18.1 mmt180 69.16 15.75 8.62 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.71 0.404 . . . . 0.0 111.836 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 134.52 49.52 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -150.21 20.85 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.642 0.258 . . . . 0.0 111.536 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -92.98 -170.79 2.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.846 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -169.6 173.25 6.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.092 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.33 71.78 3.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.911 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' HA ' HG23 ' B' ' 23' ' ' THR . 39.5 mt-30 -123.91 -5.4 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.251 0.548 . . . . 0.0 109.716 168.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.58 84.2 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.7 mmt -73.08 137.32 45.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.279 0.561 . . . . 0.0 112.113 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -78.53 169.64 17.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.0 -32.75 74.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.986 0.422 . . . . 0.0 111.015 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -61.62 -28.48 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.672 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -30.17 68.37 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.135 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -68.64 -28.24 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -79.89 -39.93 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.77 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -64.88 -49.98 68.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.27 -31.78 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.128 0.489 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 24.9 ttt85 -61.27 -36.4 79.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.57 -37.99 65.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.869 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.29 -44.63 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.676 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -61.34 -32.07 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.341 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.8 m -67.13 -32.75 74.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.461 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 4.5 pp -65.25 -24.94 67.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.58 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.615 HD11 HD22 ' A' ' 87' ' ' LEU . 87.2 mt -64.75 -34.53 78.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.093 0.473 . . . . 0.0 110.589 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -93.03 -54.87 3.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 p -88.87 -21.75 23.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -78.04 -12.61 60.0 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.601 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.3 mm -77.49 104.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' B' ' 1' ' ' MET . 40.8 tt0 -107.49 144.49 34.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.1 0.476 . . . . 0.0 111.241 -171.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 54' ' ' ASN . 42.6 mm -101.64 112.65 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.276 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.603 HG23 ' HB2' ' A' ' 53' ' ' HIS . 7.7 m -98.5 105.37 17.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.683 0.754 . . . . 0.0 109.084 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 13.7 p -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.661 -172.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.49 157.01 26.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.137 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.64 -45.04 66.5 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 123.416 0.447 . . . . 0.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -163.0 111.69 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.379 172.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.58 -22.33 0.34 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.695 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.99 147.26 4.48 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.055 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.604 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -97.49 154.74 17.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.935 0.398 . . . . 0.0 109.95 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.603 ' HB2' HG23 ' A' ' 45' ' ' VAL . 77.3 m-70 -127.31 123.73 37.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.55 -175.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.614 ' HA ' HD13 ' A' ' 44' ' ' ILE . 48.4 t-20 -82.89 114.64 21.33 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -130.37 124.66 32.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.338 0.59 . . . . 0.0 112.188 -171.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.47 ' SG ' HD11 ' A' ' 72' ' ' ILE . 78.2 m -83.63 103.21 12.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 170.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -80.17 7.68 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 0.0 110.906 -173.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.507 HD23 HG22 ' A' ' 80' ' ' VAL . 10.9 tp -105.99 14.37 28.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.5 t -149.46 -41.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.264 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.89 -9.62 31.95 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.258 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.94 138.75 39.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.968 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 p -142.87 153.23 42.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.156 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.415 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 11.3 p -151.98 146.49 18.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 51.8 Cg_exo -40.05 126.56 1.9 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.925 2.417 . . . . 0.0 112.202 170.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.444 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 4.6 p-90 -63.95 -24.58 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.645 -172.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.1 tp -92.81 13.87 19.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.608 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -148.58 -87.59 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.23 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.504 ' H ' HG23 ' A' ' 68' ' ' THR . . . 107.66 -17.95 35.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.714 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -105.61 -27.9 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.214 0.531 . . . . 0.0 110.43 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' HB3' HG21 ' A' ' 68' ' ' THR . 42.2 tt0 -75.92 -7.23 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.102 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.47 HD11 ' SG ' ' A' ' 56' ' ' CYS . 17.7 pt -65.66 137.3 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.32 0.581 . . . . 0.0 111.455 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.15 115.84 23.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.135 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -77.47 165.98 23.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.163 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.83 40.4 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 169.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -75.63 -4.66 41.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.009 0.433 . . . . 0.0 111.408 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.18 -13.28 53.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.956 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 p -77.56 150.17 79.03 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.758 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.683 ' HB2' HG22 ' B' ' 33' ' ' ILE . 48.8 Cg_endo -68.92 -3.75 12.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.943 2.429 . . . . 0.0 113.306 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG22 HD23 ' A' ' 58' ' ' LEU . 48.4 t -63.02 -33.72 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.12 0.486 . . . . 0.0 110.4 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 43.6 t -61.62 -47.25 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.472 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.33 -41.24 91.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.401 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.81 93.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -61.0 -38.8 87.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.323 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 96.4 mt-30 -60.08 -45.56 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.757 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.3 -52.21 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.278 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 HD11 ' A' ' 38' ' ' LEU . 4.2 pp -70.06 -18.82 63.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.437 -176.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -83.07 -41.4 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m 61.45 24.03 14.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.709 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -123.2 101.16 38.51 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.72 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 104.48 0.86 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.282 2.655 . . . . 0.0 112.227 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -94.84 105.34 17.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 tp 72.33 -66.56 0.3 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.573 0.749 . . . . 0.0 112.017 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -158.76 -39.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.304 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.65 -159.16 0.32 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.835 0.71 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.023 177.308 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.406 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 15.4 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.7 -160.08 12.57 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -101.16 119.78 39.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.175 0.488 . . . . 0.0 109.883 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -67.57 144.73 55.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.711 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.36 149.18 28.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.289 . . . . 0.0 110.484 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -137.03 150.19 47.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.923 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -156.03 -63.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.181 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -155.12 110.13 3.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -115.44 112.61 22.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.556 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -147.44 99.3 3.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.094 0.473 . . . . 0.0 110.46 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -78.01 72.46 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.353 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -85.77 129.8 34.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.424 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.409 ' HA2' HG23 ' B' ' 96' ' ' VAL . . . 157.47 -107.8 0.34 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 45.5 mtm105 69.16 31.42 4.02 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -86.0 75.17 10.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.521 0.677 . . . . 0.0 109.536 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -76.81 115.09 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.51 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.463 HD12 ' HA3' ' B' ' 21' ' ' GLY . 0.3 OUTLIER -131.76 -14.78 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.632 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' B' ' 22' ' ' MET . 63.4 t80 65.85 168.72 0.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.198 0.599 . . . . 0.0 110.558 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.1 149.88 14.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 111.734 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 61.87 89.4 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.273 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.463 ' HA3' HD12 ' B' ' 17' ' ' LEU . . . 137.67 -56.94 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -173.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 11.1 ptp -65.92 125.34 25.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.463 HG23 ' HA ' ' A' ' 20' ' ' GLN . 31.9 m -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.361 -170.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.21 -54.53 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -79.02 -5.26 53.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.614 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.91 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.154 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.28 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.325 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.7 OUTLIER -63.05 -51.33 67.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.86 -174.475 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.648 ' HA ' ' HZ3' ' B' ' 32' ' ' LYS . 30.1 m-20 -76.35 -40.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -176.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.88 -37.61 78.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.046 0.45 . . . . 0.0 110.527 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -63.45 -40.89 98.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.648 ' HZ3' ' HA ' ' B' ' 29' ' ' ASP . 38.0 mtmm -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.867 -175.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' A' ' 79' ' ' PRO . 38.1 pt -75.67 -33.27 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.87 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -71.34 -32.23 68.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.436 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 75.6 m -61.24 -31.05 70.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.163 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.14 73.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.384 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' B' ' 83' ' ' ALA . 4.4 pp -72.46 -24.52 61.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 110.608 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.748 ' HA ' ' HE2' ' B' ' 84' ' ' LYS . 9.6 tt -68.05 -38.87 82.95 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 1.008 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.2 OUTLIER -70.44 -57.23 5.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.908 -178.566 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.2 m -161.33 84.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.98 -21.23 64.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.94 HD12 ' HA ' ' B' ' 56' ' ' CYS . 1.3 mt -126.72 -156.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -173.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.484 ' H ' HG22 ' B' ' 42' ' ' ILE . 41.3 mt-10 -103.43 142.56 34.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 0.0 111.747 -170.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.866 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -130.43 115.12 30.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.482 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.8 m -87.35 142.84 27.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.328 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.848 ' HG2' ' H ' ' B' ' 51' ' ' GLY . 0.0 OUTLIER -83.13 -175.56 5.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.534 0.683 . . . . 0.0 111.702 178.073 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.26 -23.22 14.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.61 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -165.87 101.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.786 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.18 -85.6 0.1 OUTLIER Glycine 0 C--N 1.317 -0.525 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.363 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.848 ' H ' ' HG2' ' B' ' 47' ' ' GLU . . . 178.65 147.53 7.1 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.866 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -65.71 124.39 22.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.084 0.469 . . . . 0.0 110.735 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -132.47 138.64 47.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.739 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -91.46 133.32 35.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -108.74 104.45 13.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.94 ' HA ' HD12 ' B' ' 42' ' ' ILE . 73.4 m -78.11 86.56 4.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -60.84 -33.27 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.198 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 25.3 p -107.68 -29.58 9.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.482 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.55 33.06 7.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.26 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.12 155.2 31.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.649 0.261 . . . . 0.0 110.468 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -119.85 140.91 50.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.743 HG22 ' HD2' ' B' ' 64' ' ' PRO . 4.6 p -146.71 155.72 48.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.743 ' HD2' HG22 ' B' ' 63' ' ' VAL . 75.0 Cg_exo -51.44 168.85 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.648 2.232 . . . . 0.0 113.291 172.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -73.62 164.3 26.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 81.7 mt 60.85 26.37 16.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 60.72 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.861 -172.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m 57.29 28.13 14.76 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.893 0.854 . . . . 0.0 109.68 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.507 ' HA3' HG21 ' B' ' 63' ' ' VAL . . . -125.68 -128.43 3.21 Favored Glycine 0 N--CA 1.441 -1.017 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.344 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' B' ' 69' ' ' GLY . 9.8 m-20 70.32 -11.16 0.61 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.373 0.669 . . . . 0.0 111.304 -175.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' B' ' 69' ' ' GLY . 0.0 OUTLIER -84.93 -27.22 26.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.006 0.432 . . . . 0.0 110.039 173.383 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.69 125.62 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.91 118.39 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.37 0.605 . . . . 0.0 110.391 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -110.56 157.4 19.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.299 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 113.72 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.415 0.447 . . . . 0.0 109.84 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.575 ' HA ' HG21 ' B' ' 81' ' ' VAL . 82.3 m-20 -80.9 4.31 19.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.528 0.68 . . . . 0.0 110.45 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.42 -8.39 58.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.871 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.32 138.14 42.06 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.06 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.88 -15.54 47.98 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.496 . . . . 0.0 112.694 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.439 HG13 HD13 ' B' ' 37' ' ' LEU . 60.9 t -62.99 -36.16 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' B' ' 76' ' ' ASP . 44.0 t -71.91 -35.28 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.015 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.509 ' O ' HG13 ' B' ' 86' ' ' ILE . 25.3 mm -56.89 -50.64 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.485 ' HB3' HD11 ' B' ' 37' ' ' LEU . . . -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -177.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' B' ' 38' ' ' LEU . 84.0 mttt -63.34 -41.4 98.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.287 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -58.54 -42.41 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.947 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.509 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.4 mt -60.34 -50.65 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.383 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.9 -14.55 61.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 111.528 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.9 m -90.11 -4.39 57.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 71.2 m -66.66 -53.57 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.827 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.424 ' HG2' ' HG2' ' B' ' 92' ' ' LYS . 37.4 ttp180 -155.13 89.9 3.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.155 0.502 . . . . 0.0 110.275 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -81.24 80.36 3.0 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.741 2.294 . . . . 0.0 113.101 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.424 ' HG2' ' HG2' ' B' ' 90' ' ' ARG . 21.0 ptmt -157.17 177.38 11.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.525 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 61.4 tp 69.26 106.82 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.907 0.754 . . . . 0.0 111.602 177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' B' ' 95' ' ' ALA . 75.6 t60 -139.92 146.69 39.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.905 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' ' 94' ' ' HIS . . . 78.7 137.63 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.27 0.982 . . . . 0.0 112.299 176.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.409 HG23 ' HA2' ' B' ' 13' ' ' GLY . 58.5 t . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.406 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.783 ' HB2' HG23 ' A' ' 68' ' ' THR . 25.3 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.76 -156.44 8.95 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.049 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 4' ' ' SER . 17.5 m 63.14 -89.32 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.89 0.476 . . . . 0.0 110.852 -177.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 3' ' ' SER . 8.8 t 175.45 177.58 0.18 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -127.62 82.06 2.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.637 0.732 . . . . 0.0 110.594 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -45.4 138.15 4.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.008 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -163.06 10.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.389 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -88.53 78.96 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 110.972 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -154.09 -78.04 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.191 173.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m80 61.65 97.48 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.779 0.675 . . . . 0.0 111.574 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -70.12 154.45 41.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -113.48 147.58 37.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.956 0.408 . . . . 0.0 111.592 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.19 160.47 10.15 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -151.72 91.01 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.291 0.545 . . . . 0.0 110.297 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -90.27 131.59 36.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.427 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -122.92 81.49 1.88 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -132.35 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.183 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' B' ' 89' ' ' SER . 76.7 t80 -135.38 158.88 43.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.312 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -63.48 93.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 178.73 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.49 53.23 0.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.488 175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.416 ' HB3' ' HD1' ' B' ' 19' ' ' PHE . 17.8 mmt -85.24 114.12 22.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.608 0.242 . . . . 0.0 110.425 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.9 p -101.92 -169.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.04 -42.09 65.39 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.377 0.671 . . . . 0.0 111.954 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 p -77.87 -9.69 59.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -22.26 65.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.129 0.49 . . . . 0.0 110.377 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.63 69.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.991 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -51.32 59.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -70.81 -37.38 73.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.1 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.11 -37.62 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.535 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -74.51 -29.08 61.26 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.4 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 34.1 ttmt -53.81 -43.72 69.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.242 0.544 . . . . 0.0 110.083 173.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.658 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 39.2 mt -62.66 -44.28 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.269 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.84 -32.34 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.076 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 61.5 m -58.29 -30.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -62.15 -47.2 85.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.011 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 pp -78.84 -24.73 44.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.35 -31.04 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 35' ' ' THR . 10.3 mtmp? -75.68 -41.8 52.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.461 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 m -152.56 -75.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.316 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.78 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 66.45 -65.18 0.2 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.42 0.688 . . . . 0.0 111.914 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.6 mt -53.15 147.4 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.762 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.26 145.93 30.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 111.134 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -111.4 126.94 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-O 121.346 0.593 . . . . 0.0 111.472 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 53' ' ' HIS . 9.9 m -102.66 106.61 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.592 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 t -101.08 134.62 43.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.665 0.745 . . . . 0.0 111.577 -173.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.11 132.07 55.58 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.071 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.56 -38.44 77.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.079 0.466 . . . . 0.0 109.799 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.71 -50.66 56.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.821 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.59 -103.99 0.79 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.33 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.18 -171.84 31.9 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -91.1 118.0 30.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 83.6 m-70 -103.2 124.83 49.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.38 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -126.24 138.3 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.521 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.2 t -91.81 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -10.79 59.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.455 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.572 HD21 ' HD2' ' A' ' 79' ' ' PRO . 10.3 tp -95.02 -26.94 15.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.026 -171.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.14 -19.28 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.516 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.59 11.22 64.34 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.922 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.96 132.9 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.886 0.343 . . . . 0.0 110.634 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.3 m -112.73 124.89 53.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.057 0.456 . . . . 0.0 111.405 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.56 136.91 19.88 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.548 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 1.5 Cg_endo -44.83 -59.35 1.17 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.56 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 3.9 t-105 -179.76 -78.65 0.01 OUTLIER 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.777 0.673 . . . . 0.0 109.895 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 65' ' ' TRP . 68.6 mt -109.66 95.43 5.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.387 0.613 . . . . 0.0 111.574 -177.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -132.51 -94.57 0.34 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 172.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.783 HG23 ' HB2' ' A' ' 1' ' ' MET . 3.4 m -151.92 96.79 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.16 -26.59 63.86 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.617 -169.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.56 0.68 . . . . 0.0 112.0 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -96.78 4.46 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.903 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.5 tt -87.97 155.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.36 130.17 44.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.314 0.578 . . . . 0.0 110.952 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -99.32 178.89 4.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.354 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . -96.09 143.11 27.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -72.47 -16.91 61.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.051 0.453 . . . . 0.0 111.156 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -108.33 4.11 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.869 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 19.6 p -82.42 134.95 47.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.816 -177.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.656 ' HA ' HG22 ' B' ' 33' ' ' ILE . 91.1 Cg_exo -47.4 -30.58 11.69 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.091 3.194 . . . . 0.0 113.903 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 46.9 t -54.73 -39.47 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 111.338 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' SG ' ' A' ' 78' ' ' CYS . 59.2 t -71.75 -44.64 68.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.051 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.84 -41.44 82.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.97 75.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.0 mttt -62.64 -43.56 98.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 177.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -61.43 -38.06 85.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.752 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.9 mt -72.5 -42.42 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.04 -15.96 61.06 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.462 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.7 m -77.6 83.75 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.921 0.391 . . . . 0.0 110.332 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.43 ' HA ' ' OH ' ' B' ' 18' ' ' TYR . 32.6 t -73.62 87.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.47 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.4 ptp180 -171.5 147.1 2.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.732 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HB3' ' HB3' ' B' ' 16' ' ' ASN . 27.7 Cg_exo -62.3 115.23 2.73 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.522 2.148 . . . . 0.0 111.893 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -118.11 124.58 48.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.902 0.382 . . . . 0.0 111.162 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.433 ' HG ' ' H ' ' A' ' 94' ' ' HIS . 10.3 tp -84.77 -172.35 4.13 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.433 ' H ' ' HG ' ' A' ' 93' ' ' LEU . 44.9 p-80 -68.17 92.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.431 0.634 . . . . 0.0 110.16 175.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -120.88 80.11 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.414 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.25 1.101 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.335 178.068 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.513 0.197 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.14 79.19 0.82 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.613 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 44.9 m -106.38 96.38 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.975 0.417 . . . . 0.0 110.047 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m -132.1 102.61 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.6 t60 67.86 105.59 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 173.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -97.96 90.67 4.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' B' ' 8' ' ' HIS . 11.1 t-80 -89.07 80.88 6.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.911 0.386 . . . . 0.0 110.815 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 7' ' ' HIS . 9.5 t-160 179.46 100.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.771 171.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -149.57 112.26 4.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.453 0.644 . . . . 0.0 109.52 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -119.85 108.22 14.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.223 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.7 p -87.92 175.55 7.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.197 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -149.87 174.52 12.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.85 -7.83 86.4 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.646 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 68.58 108.98 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.235 0.54 . . . . 0.0 109.939 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -79.08 154.95 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.499 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.436 ' HB3' ' HB3' ' A' ' 91' ' ' PRO . 13.1 m120 -86.5 -39.93 15.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -175.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.18 105.0 13.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.43 ' OH ' ' HA ' ' A' ' 89' ' ' SER . 10.9 p90 -95.89 160.87 14.26 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.086 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.626 ' HA ' ' HB2' ' B' ' 22' ' ' MET . 47.5 m-85 68.65 170.45 0.29 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.766 0.666 . . . . 0.0 111.209 -171.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 73.46 -48.03 0.67 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.558 0.743 . . . . 0.0 110.542 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.09 33.16 3.95 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.626 ' HB2' ' HA ' ' B' ' 19' ' ' PHE . 9.8 ttt -83.5 132.87 34.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.7 p -103.7 -175.6 2.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.37 -39.73 67.46 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.788 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -57.79 -20.79 37.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.99 66.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.378 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.16 73.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.723 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.62 -47.56 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.84 -27.05 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.641 0.258 . . . . 0.0 111.32 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.59 -38.07 75.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 172.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.726 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 89.3 mtt180 -65.21 -38.16 89.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.206 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.02 -55.25 35.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.363 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.656 HG22 ' HA ' ' A' ' 79' ' ' PRO . 31.5 pt -66.01 -38.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.397 -177.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -75.17 -39.49 60.28 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.0 m -62.06 -35.28 78.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.249 -0.282 . . . . 0.0 111.475 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 79' ' ' PRO . . . -68.25 -44.33 75.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.985 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.918 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.5 pp -73.82 -29.08 61.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' B' ' 84' ' ' LYS . 9.1 tt -72.31 -37.75 68.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.073 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 1.012 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.4 OUTLIER -69.38 -57.81 4.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.733 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t -172.72 82.02 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.972 0.891 . . . . 0.0 111.933 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.918 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.21 -11.76 23.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.049 170.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.785 HD12 ' HG2' ' B' ' 57' ' ' LYS . 8.5 mm -98.08 -125.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.252 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -168.73 147.05 4.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.428 . . . . 0.0 110.44 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.666 HD11 ' HB1' ' B' ' 52' ' ' ALA . 8.1 tt -79.56 127.43 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.438 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.19 116.72 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.412 0.625 . . . . 0.0 110.078 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.7 m -91.8 145.82 24.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.863 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.94 151.58 27.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.879 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.32 -33.29 74.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.23 114.92 8.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.789 174.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.38 -92.49 0.17 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.145 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.62 -139.37 2.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.666 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -146.78 135.42 22.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -126.56 121.83 33.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.747 -174.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.645 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 59.0 t30 -82.45 112.63 19.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -99.12 149.76 22.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.593 -169.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.594 ' HA ' HG13 ' B' ' 42' ' ' ILE . 61.7 m -109.82 117.09 32.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.785 ' HG2' HD12 ' B' ' 42' ' ' ILE . 18.6 ptpt -75.19 7.16 3.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.449 HD21 ' HB1' ' A' ' 36' ' ' ALA . 7.6 mp -109.85 -47.5 3.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 111.697 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 64.2 m -89.74 -9.15 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.98 44.28 97.63 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.78 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.15 163.55 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m -137.68 142.96 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.989 0.423 . . . . 0.0 111.184 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.439 HG11 ' HA2' ' B' ' 69' ' ' GLY . 7.6 p -108.32 130.42 22.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.536 ' HB2' ' CG ' ' B' ' 67' ' ' GLN . 45.4 Cg_exo -56.42 146.36 74.2 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.637 2.225 . . . . 0.0 112.604 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.45 138.07 57.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.288 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt 67.29 22.41 9.6 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.368 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.536 ' CG ' ' HB2' ' B' ' 64' ' ' PRO . 85.9 mm-40 -83.95 -71.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 171.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.9 t -175.25 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.962 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.439 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . 69.42 80.32 0.26 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.297 -178.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -165.33 -51.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.78 0.324 . . . . 0.0 110.211 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.94 89.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.673 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.553 ' HB ' ' NZ ' ' B' ' 84' ' ' LYS . 38.2 mm -132.79 92.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -130.09 85.65 2.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.599 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -123.65 -14.55 7.25 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.257 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.35 116.21 0.6 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.56 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -82.09 -10.72 59.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.33 0.586 . . . . 0.0 110.28 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.851 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.462 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 84.1 m -78.31 133.83 63.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.658 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.3 Cg_exo -56.62 -30.99 85.55 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.237 2.625 . . . . 0.0 112.981 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 24.7 m -69.68 -30.93 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.79 0.329 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -75.5 -47.2 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.494 ' O ' HG12 ' B' ' 86' ' ' ILE . 10.7 tp -61.16 -35.76 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.401 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -54.65 -43.45 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.071 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.553 ' NZ ' ' HB ' ' B' ' 72' ' ' ILE . 92.6 mttt -61.5 -42.15 98.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.617 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.13 -27.28 65.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.35 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.494 HG12 ' O ' ' B' ' 82' ' ' ILE . 48.3 mm -74.3 -39.25 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.098 0.475 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.726 ' HB2' ' HG2' ' B' ' 31' ' ' ARG . 4.6 pp -89.03 -0.45 57.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.843 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.8 p -53.13 -55.24 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.741 -174.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.457 ' HA ' ' CE1' ' A' ' 18' ' ' TYR . 9.2 t 73.09 152.77 0.13 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.981 0.801 . . . . 0.0 110.31 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 58.63 63.34 4.05 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.84 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -87.1 143.65 6.82 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.217 1.945 . . . . 0.0 112.113 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 65.51 22.75 11.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.645 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tt -97.0 -69.61 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -94.79 145.44 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.472 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.39 131.68 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.112 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.601 179.893 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.15 96.98 2.22 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.8 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -139.95 84.79 1.99 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.212 0.529 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.1 p -74.85 112.15 10.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.36 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -88.1 111.88 22.06 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -59.93 107.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.752 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.45 112.11 19.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.317 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -126.03 97.69 5.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.069 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -149.25 152.13 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.064 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -113.41 114.72 26.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.15 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 m -85.95 99.73 11.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.079 0.466 . . . . 0.0 110.285 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 p -113.71 -60.77 1.84 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.43 148.41 18.99 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.735 ' HD3' ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -106.06 97.83 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.635 0.731 . . . . 0.0 109.563 177.61 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.587 ' HB2' HG21 ' A' ' 25' ' ' THR . 4.6 mm-40 -88.87 86.02 6.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.581 -174.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -96.66 111.99 23.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.163 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.16 -172.91 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.979 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -117.28 159.89 21.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -62.62 -11.22 15.54 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -73.77 -34.71 64.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.864 0.364 . . . . 0.0 110.425 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.68 104.81 0.9 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.929 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.446 ' HE3' ' HG3' ' B' ' 22' ' ' MET . 23.8 mmt -91.02 109.25 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 0.0 111.348 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 p -91.94 -70.56 0.68 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.609 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.86 -36.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.839 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.587 HG21 ' HB2' ' A' ' 15' ' ' GLU . 20.1 p -74.95 9.08 2.08 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.88 67.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.602 . . . . 0.0 109.952 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.689 ' HA ' ' CE1' ' B' ' 19' ' ' PHE . . . -68.56 -28.63 67.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.171 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.78 -55.17 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 10.9 t70 -69.99 -38.36 75.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -173.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.61 -40.33 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.017 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 31' ' ' ARG . 24.4 ttt85 -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 37.0 ttmt -53.92 -42.54 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.087 174.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.944 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 42.3 mt -70.04 -46.99 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.731 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -59.98 -32.48 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.012 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.483 ' HA ' HD23 ' A' ' 38' ' ' LEU . 67.4 m -55.03 -29.3 57.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.892 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.89 71.52 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.773 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.9 pp -74.19 -23.85 59.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.941 0.4 . . . . 0.0 110.958 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 35' ' ' THR . 3.2 mm? -73.63 -25.86 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.108 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -80.56 -58.15 3.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.6 p -137.79 -69.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.773 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 68.87 -60.93 0.43 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.009 0.818 . . . . 0.0 112.028 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.4 mt -73.22 142.35 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.203 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' OE2' ' HB2' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -110.73 151.32 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.728 177.022 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.3 pt -102.09 118.79 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 53' ' ' HIS . 21.4 t -97.07 141.39 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 t -126.46 136.82 53.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.322 0.582 . . . . 0.0 110.848 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 59.9 mt-10 -138.24 155.52 48.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.146 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.46 -25.81 23.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -82.44 -52.13 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.366 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -90.56 -41.55 5.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.238 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 47' ' ' GLU . . . 115.44 -156.05 15.9 Favored Glycine 0 N--CA 1.438 -1.172 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -177.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.19 34.63 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 120.852 0.358 . . . . 0.0 110.294 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.528 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 93.9 m-70 -121.24 127.48 51.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.256 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -91.23 105.47 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -117.91 143.79 46.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.654 -170.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.545 ' CB ' ' HB2' ' A' ' 59' ' ' CYS . 62.3 m -91.92 111.82 23.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.939 172.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HZ2' ' HB2' ' A' ' 57' ' ' LYS . 4.7 ttmp? -40.29 -50.75 2.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -171.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' H ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -129.83 7.53 5.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 112.166 -173.099 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.545 ' HB2' ' CB ' ' A' ' 56' ' ' CYS . 74.1 m -85.57 -5.55 59.27 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.33 44.8 84.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.914 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.76 138.13 19.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.973 0.416 . . . . 0.0 111.443 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -140.96 130.63 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.35 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.11 143.28 48.73 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HB2' ' HB2' ' A' ' 67' ' ' GLN . 84.1 Cg_exo -46.84 136.86 16.72 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.858 2.372 . . . . 0.0 112.351 173.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -58.37 127.81 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.623 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt 71.96 8.51 6.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.398 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 64' ' ' PRO . 23.0 tm0? -75.32 -42.2 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 71' ' ' GLU . 2.0 p -144.21 -76.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 111.277 178.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 121.18 -97.24 0.62 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.955 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.19 -25.23 58.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.746 0.307 . . . . 0.0 110.947 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HB3' ' HB ' ' A' ' 68' ' ' THR . 11.7 tp10 -75.66 93.32 3.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.312 0.577 . . . . 0.0 109.611 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.419 HG12 ' N ' ' A' ' 73' ' ' LYS . 14.6 tt -165.0 172.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -175.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 72' ' ' ILE . 55.8 mttp -68.65 148.7 50.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.248 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -129.99 157.29 42.75 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.41 143.06 30.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -103.81 -22.25 13.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.066 0.46 . . . . 0.0 110.909 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.56 -0.65 51.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.637 0.732 . . . . 0.0 110.414 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -74.51 150.12 86.73 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.196 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.585 ' HB3' ' HG2' ' B' ' 32' ' ' LYS . 47.9 Cg_endo -69.26 -9.79 27.23 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.743 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 HD21 ' A' ' 58' ' ' LEU . 60.4 t -62.1 -38.6 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.283 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 48.4 t -62.93 -46.28 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.024 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.427 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.4 mm -58.08 -46.64 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.735 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -43.38 80.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -61.43 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.806 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 47.0 mt-30 -62.74 -38.78 91.87 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 82' ' ' ILE . 69.4 mt -61.82 -55.2 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.566 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.8 -18.56 63.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.326 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.7 m -81.36 -40.51 23.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.623 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m 62.37 16.47 8.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.624 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 31.1 ptt180 -127.83 119.29 21.24 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.874 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 2.2 Cg_endo -81.93 117.33 2.91 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.927 2.418 . . . . 0.0 112.481 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -103.68 107.22 17.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.875 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -111.5 -81.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 54.94 -91.29 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.688 0.618 . . . . 0.0 111.819 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' HB ' ' A' ' 96' ' ' VAL . . . -152.98 53.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 95' ' ' ALA . 59.0 t . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.119 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.75 143.71 3.74 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.645 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -84.41 151.91 24.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.3 t -72.54 105.46 4.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -123.84 -179.56 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.857 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -111.07 122.39 47.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.884 0.373 . . . . 0.0 111.227 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -89.53 133.86 34.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -121.52 98.07 5.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.962 0.411 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -114.63 113.73 24.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.698 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -91.24 154.81 19.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.3 m -56.03 114.09 1.79 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.416 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.56 132.7 54.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.782 -178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.22 -166.03 34.52 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.656 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -143.74 135.69 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.515 ' H ' ' CD ' ' B' ' 15' ' ' GLU . 0.1 OUTLIER -84.33 -28.8 26.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.943 -176.304 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 93.6 m-20 -79.46 -11.0 59.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.266 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' B' ' 16' ' ' ASN . 47.4 tp 71.99 158.21 0.19 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.799 0.687 . . . . 0.0 110.454 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' B' ' 19' ' ' PHE . 17.7 t80 -112.25 149.13 32.76 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.689 ' CE1' ' HA ' ' A' ' 27' ' ' ALA . 19.8 m-85 74.7 130.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.973 0.796 . . . . 0.0 111.206 -175.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 70.28 -67.4 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.183 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 41.88 3.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.707 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.604 ' SD ' ' HA ' ' B' ' 19' ' ' PHE . 14.5 ptm -111.87 123.64 50.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.687 0.756 . . . . 0.0 110.382 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 60.8 m -138.47 136.14 35.89 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.389 -171.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 66.49 -75.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.971 0.795 . . . . 0.0 112.764 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -73.55 -4.48 34.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.703 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.73 -37.79 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.681 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.96 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.81 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.87 -43.16 25.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -64.41 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.29 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.89 -32.37 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.297 0.57 . . . . 0.0 110.031 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.13 -31.32 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.019 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.585 ' HG2' ' HB3' ' A' ' 79' ' ' PRO . 50.1 tttp -56.94 -54.37 47.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.531 HG22 ' HB2' ' A' ' 79' ' ' PRO . 34.6 pt -72.82 -31.8 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.752 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.65 -30.16 71.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.643 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -54.58 -35.45 63.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.55 97.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.36 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.595 ' HB2' HG13 ' B' ' 80' ' ' VAL . 3.9 pp -81.39 -23.26 37.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.973 0.416 . . . . 0.0 110.946 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.47 -38.04 68.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.77 -51.16 70.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.262 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -160.98 -37.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.747 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.73 -64.37 0.32 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.765 HG13 ' HA ' ' B' ' 56' ' ' CYS . 12.5 mm -107.52 174.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.448 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.64 ' H ' HG22 ' B' ' 42' ' ' ILE . 2.7 pm0 -103.51 158.61 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 0.0 110.792 -176.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.452 ' O ' HD12 ' B' ' 44' ' ' ILE . 2.2 pp -117.42 143.34 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.248 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 m -112.92 128.0 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.914 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -89.65 138.31 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.762 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.94 102.18 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 54.33 -85.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.82 0.7 . . . . 0.0 111.664 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.17 9.49 0.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.7 . . . . 0.0 109.985 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.13 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.268 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.75 -155.55 8.92 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.957 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' HB2' ' B' ' 65' ' ' TRP . . . -145.85 155.15 42.71 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.796 0.331 . . . . 0.0 110.372 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -112.93 123.24 49.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.387 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' B' ' 42' ' ' ILE . 48.6 t-20 -91.58 113.82 26.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.421 ' O ' HG21 ' B' ' 42' ' ' ILE . 7.4 pt20 -113.16 100.76 8.84 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.765 ' HA ' HG13 ' B' ' 42' ' ' ILE . 22.0 p -51.66 123.67 10.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.673 0.749 . . . . 0.0 111.654 -171.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.536 ' H ' HD12 ' B' ' 42' ' ' ILE . 22.1 ttpt -78.69 44.95 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.61 -174.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.515 HD22 HG23 ' B' ' 80' ' ' VAL . 11.4 tp -158.08 -63.18 0.09 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.754 -172.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' B' ' 56' ' ' CYS . 53.0 t -89.89 -37.98 14.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.568 -174.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.82 -1.03 45.06 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.579 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.09 148.46 26.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.723 -0.281 . . . . 0.0 110.308 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 19.5 m -116.27 146.08 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.62 ' HB ' HD11 ' B' ' 72' ' ' ILE . 8.0 p -130.78 136.21 28.56 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 177.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.62 140.24 80.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.918 2.412 . . . . 0.0 113.018 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.482 ' HB2' ' HB3' ' B' ' 52' ' ' ALA . 22.5 t90 -57.91 146.2 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.591 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 88.6 mt 81.73 -20.81 0.34 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.999 0.919 . . . . 0.0 112.693 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -103.01 91.95 4.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.622 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.767 HG22 ' H ' ' B' ' 70' ' ' ASP . 21.1 m 63.6 -77.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.461 174.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.57 -9.12 78.25 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.441 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.767 ' H ' HG22 ' B' ' 68' ' ' THR . 13.4 t70 -102.65 -7.4 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.021 0.438 . . . . 0.0 110.795 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 3.12 5.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.62 HD11 ' HB ' ' B' ' 63' ' ' VAL . 49.9 mm -81.23 95.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.142 0.496 . . . . 0.0 110.792 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -121.76 32.84 5.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.715 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.55 -13.46 59.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.967 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.08 96.73 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.59 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.76 -23.13 65.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.85 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -77.2 -23.79 51.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 58' ' ' LEU . 95.6 m -63.78 135.7 96.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.944 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 15.3 Cg_exo -33.49 -60.4 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.822 1 C-N-CA 125.44 4.094 . . . . 0.0 115.18 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.595 HG13 ' HB2' ' B' ' 37' ' ' LEU . 89.8 t -63.4 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 111.406 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.0 -41.69 59.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 86' ' ' ILE . 10.5 tp -66.62 -40.94 87.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.766 0.317 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.518 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -60.42 -38.73 85.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.15 -33.74 72.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -79.12 -33.51 44.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 82' ' ' ILE . 69.0 mt -62.38 -47.04 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.517 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.752 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.2 pp -72.11 -6.04 39.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.118 0.485 . . . . 0.0 111.148 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -103.42 -66.59 0.93 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.238 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.5 t 64.01 -70.84 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.765 0.826 . . . . 0.0 111.104 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -167.27 83.97 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.06 -161.87 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.106 2.537 . . . . 0.0 111.865 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -101.54 89.77 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.79 -75.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -135.88 108.35 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.558 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.34 165.53 11.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.966 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.166 177.707 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.8 160.54 20.89 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.659 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -155.76 28.32 0.38 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.853 0.359 . . . . 0.0 111.056 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.4 p -76.55 98.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.779 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -154.4 75.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.149 0.499 . . . . 0.0 109.689 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.73 138.3 31.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.3 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 174.76 -66.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.581 0.55 . . . . 0.0 110.47 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 67.17 157.32 0.12 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.536 0.522 . . . . 0.0 111.527 -175.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -166.9 148.7 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.719 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -158.14 179.61 9.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -91.26 -20.53 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.995 0.426 . . . . 0.0 110.551 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.2 156.32 21.36 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.7 mmm180 -135.47 -89.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 178.44 168.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.098 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -131.02 145.05 51.9 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 170.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' GLY . 20.8 tp -99.0 38.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 110.011 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.0 t80 60.82 -167.64 0.18 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.05 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' HZ ' ' HB ' ' B' ' 30' ' ' VAL . 96.5 m-85 -78.6 0.47 26.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -78.49 -48.69 14.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 17' ' ' LEU . . . -135.27 68.61 0.53 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.001 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 mmt -64.73 136.06 56.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.113 0.482 . . . . 0.0 110.882 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -114.79 -171.3 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.474 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.94 -52.72 54.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.801 0.44 . . . . 0.0 112.143 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.516 ' HB ' ' HB2' ' A' ' 14' ' ' ARG . 1.4 m -79.17 10.34 3.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.069 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.25 -11.65 61.05 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.823 0.821 . . . . 0.0 109.737 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.53 57.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.54 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.42 -48.37 17.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.565 -173.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.603 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 26.4 p-10 -81.69 -46.36 14.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 33' ' ' ILE . 84.4 t -63.3 -35.94 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -73.79 -28.88 61.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.806 -0.559 . . . . 0.0 111.352 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 40.6 mtmt -65.18 -39.81 93.4 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 30' ' ' VAL . 35.1 pt -64.13 -34.09 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 83' ' ' ALA . . . -75.08 -32.54 61.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.3 m -72.46 -30.1 64.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.857 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -55.66 -27.28 49.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.382 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.828 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 63.2 mt -60.45 -42.86 97.03 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.609 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.3 mp -77.27 -28.39 53.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.181 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.22 -52.64 38.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.439 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 7.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . -73.39 -22.57 60.22 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.345 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.3 mt -77.89 145.48 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.806 ' HG2' ' HB3' ' B' ' 43' ' ' GLU . 3.8 tp10 -105.82 157.91 17.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 112.323 -168.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.526 HG23 ' HB1' ' A' ' 52' ' ' ALA . 23.4 mm -117.42 114.59 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.167 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 53' ' ' HIS . 5.5 m -117.88 116.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 172.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.601 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 33.2 t -100.0 160.81 14.03 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.204 -173.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.88 161.58 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.83 175.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -51.79 -44.72 63.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -153.81 112.83 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.669 171.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.76 -86.97 0.1 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.039 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.1 149.62 21.23 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.792 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -72.01 154.54 41.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.071 -0.565 . . . . 0.0 111.308 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 95.5 m-70 -122.46 126.16 47.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -82.26 105.55 13.43 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 172.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.544 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 0.1 OUTLIER -106.86 116.44 31.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.1 0.476 . . . . 0.0 110.991 -168.296 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.72 90.38 8.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.876 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -73.92 9.46 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.395 -175.231 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD21 ' HB1' ' B' ' 36' ' ' ALA . 7.0 mp -106.57 15.11 26.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.6 t -155.77 -27.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.463 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.56 56.12 2.31 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.526 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' HD13 ' A' ' 72' ' ' ILE . . . -152.72 133.85 14.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.623 0.249 . . . . 0.0 110.444 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.544 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 65.2 p -120.31 152.53 37.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.59 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.6 p -141.46 137.96 17.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.661 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.75 141.07 11.94 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.803 2.335 . . . . 0.0 112.868 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 3.1 t-105 -69.03 160.8 30.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.187 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 3.3 mm? 74.17 -17.84 0.44 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.35 0.66 . . . . 0.0 111.471 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' TRP . 8.4 tt0 -82.15 2.67 30.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.162 0.506 . . . . 0.0 110.295 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.1 m 73.73 -53.43 0.69 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.59 ' HA2' HG11 ' A' ' 63' ' ' VAL . . . 166.04 -26.63 0.17 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.671 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.8 t70 69.65 -1.4 2.29 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.908 0.483 . . . . 0.0 111.583 175.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 52.33 48.36 22.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.589 HD13 ' HB1' ' A' ' 61' ' ' ALA . 16.6 tt -57.45 145.28 8.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.218 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 31.0 mmtp -60.54 146.56 44.62 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 111.592 -174.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -144.15 146.45 32.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.571 -163.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 99.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.25 -14.04 60.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -160.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -89.48 -3.14 58.5 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.88 153.84 30.84 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.879 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' HA ' HG22 ' A' ' 82' ' ' ILE . 11.5 Cg_endo -54.52 -19.01 16.53 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.567 2.845 . . . . 0.0 113.775 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.76 -47.04 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.37 -39.56 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.769 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 79' ' ' PRO . 11.1 tp -65.87 -35.87 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.095 0.474 . . . . 0.0 109.898 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 34' ' ' ALA . . . -65.57 -39.78 92.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.24 173.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.43 -42.0 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.625 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.09 -43.23 99.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.592 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 82' ' ' ILE . 72.0 mt -62.3 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.32 -5.95 57.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.9 t -93.77 14.31 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -53.07 136.05 36.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 61.56 76.36 0.4 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.272 -167.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -94.99 97.68 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 123.471 2.78 . . . . 0.0 111.65 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -83.58 67.12 9.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.842 0.83 . . . . 0.0 110.107 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.23 0.48 11.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.058 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 57.65 76.79 0.31 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 72.57 137.17 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.702 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.721 179.407 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.77 30.34 0.92 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.464 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -103.54 109.48 21.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.407 . . . . 0.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 26.3 p -150.51 -79.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -135.19 14.84 3.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 173.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -87.43 95.48 10.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.313 -1.767 . . . . 0.0 111.223 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -175.22 102.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.477 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -175.32 162.05 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 42.2 m80 62.38 -160.25 0.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.353 0.408 . . . . 0.0 110.164 -176.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m80 67.18 37.98 3.52 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.988 0.423 . . . . 0.0 111.014 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -77.72 -20.12 54.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m 67.99 153.08 0.09 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.896 0.747 . . . . 0.0 111.928 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -7.67 78.58 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.614 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 69.83 -74.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.491 0.716 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.681 ' HG3' ' H ' ' B' ' 16' ' ' ASN . 5.0 pt-20 -148.39 -93.66 0.08 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.036 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.681 ' H ' ' HG3' ' B' ' 15' ' ' GLU . 66.8 t30 58.76 -163.44 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.463 ' H ' ' CG ' ' B' ' 16' ' ' ASN . 7.5 mp -77.1 86.42 3.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.09 123.98 30.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 70.87 163.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.65 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 61.93 16.92 8.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.542 0.687 . . . . 0.0 110.086 -166.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.67 149.45 5.81 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 7.1 mmt -150.38 157.7 43.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.931 0.365 . . . . 0.0 110.589 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -99.16 171.03 8.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.621 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.91 -41.0 99.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.977 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.614 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.22 67.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.566 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.53 -37.01 82.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' B' ' 31' ' ' ARG . 8.8 tp10 -68.29 -44.67 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.87 -41.88 86.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.547 ' HB ' ' HZ ' ' A' ' 19' ' ' PHE . 92.5 t -72.41 -38.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.443 ' HD2' ' CD ' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -66.45 -29.86 70.08 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.786 176.508 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.443 ' CD ' ' HD2' ' B' ' 31' ' ' ARG . 12.5 mptt -64.86 -50.48 66.46 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -67.29 -32.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.753 0.311 . . . . 0.0 110.984 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.65 74.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -70.3 -30.63 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.459 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -55.12 -48.33 73.78 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -175.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.647 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.567 HD22 HD21 ' B' ' 87' ' ' LEU . 10.1 mp -80.07 -26.67 39.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 111.539 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -84.3 -58.2 2.85 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 11.6 t -136.04 -1.63 2.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.156 -0.617 . . . . 0.0 112.523 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -62.72 -31.23 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.395 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.431 HG23 ' O ' ' B' ' 55' ' ' GLN . 75.5 mt -93.41 115.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.225 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.806 ' HB3' ' HG2' ' A' ' 43' ' ' GLU . 4.2 tp10 -119.22 155.99 30.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' C ' ' B' ' 53' ' ' HIS . 18.5 tt -103.67 129.12 56.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.54 127.82 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.02 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 37.2 m -89.63 161.27 16.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.104 0.478 . . . . 0.0 111.66 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -90.81 -157.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.91 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.98 -50.27 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.081 0.467 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -154.79 -26.44 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.133 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.51 -35.34 91.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.446 -0.407 . . . . 0.0 114.073 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.76 -149.51 13.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.897 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -144.85 168.33 20.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.65 0.262 . . . . 0.0 110.499 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.41 ' C ' HG13 ' B' ' 44' ' ' ILE . 84.3 m-70 -130.12 113.98 15.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 110.368 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.63 116.76 24.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.431 ' O ' HG23 ' B' ' 42' ' ' ILE . 10.6 pt20 -111.36 115.87 30.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.339 0.59 . . . . 0.0 111.92 -171.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 80.5 m -80.85 91.2 5.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.473 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -54.9 -46.3 74.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.795 -171.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.41 -13.91 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 26.3 m -102.58 -27.59 12.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.783 0.325 . . . . 0.0 110.501 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.17 34.73 22.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.044 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.492 ' HB3' HG23 ' B' ' 72' ' ' ILE . . . -136.54 135.82 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.753 0.311 . . . . 0.0 110.59 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -117.25 145.74 43.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.946 0.403 . . . . 0.0 110.597 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.678 ' HB ' HD11 ' B' ' 72' ' ' ILE . 12.7 p -135.5 137.11 25.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' B' ' 67' ' ' GLN . 6.4 Cg_endo -50.88 158.03 3.36 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.633 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -41.38 -64.64 0.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.939 0.896 . . . . 0.0 111.881 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mp -123.63 92.12 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.352 0.596 . . . . 0.0 111.307 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.527 ' HB2' ' HG2' ' B' ' 64' ' ' PRO . 31.5 tt0 -127.06 -54.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.796 172.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t 174.11 152.66 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.871 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.2 14.75 64.67 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.365 -0.921 . . . . 0.0 111.543 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' B' ' 71' ' ' GLU . 27.4 t70 -113.16 -173.36 2.24 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.472 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 26.4 mt-10 62.4 10.73 4.12 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.813 0.845 . . . . 0.0 112.132 -176.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.678 HD11 ' HB ' ' B' ' 63' ' ' VAL . 47.0 mm -83.16 95.57 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 171.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.55 100.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -72.63 138.26 46.63 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.511 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 78' ' ' CYS . . . -78.68 134.44 37.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.3 174.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.86 -23.16 58.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.12 0.486 . . . . 0.0 110.732 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.14 -0.53 41.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.573 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 75' ' ' ALA . 17.8 p -74.97 154.59 86.77 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.439 ' HB3' HG22 ' A' ' 33' ' ' ILE . 15.5 Cg_exo -70.05 -10.81 29.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.0 2.467 . . . . 0.0 113.084 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.8 -45.58 91.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.562 0.22 . . . . 0.0 111.239 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 48.4 t -58.82 -49.86 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.454 ' O ' HG13 ' B' ' 86' ' ' ILE . 7.3 tp -67.7 -45.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -177.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.32 93.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.871 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' B' ' 38' ' ' LEU . 12.0 ptmm? -64.85 -27.59 68.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.993 0.425 . . . . 0.0 110.965 -177.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.23 -41.39 49.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.485 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.3 mt -62.16 -45.01 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 0.0 111.54 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.567 HD21 HD22 ' B' ' 38' ' ' LEU . 4.6 pp -75.46 -5.78 46.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.018 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -92.22 13.15 19.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.9 t -82.25 67.58 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.393 -178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -141.18 140.83 21.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.27 141.55 96.84 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.077 2.518 . . . . 0.0 112.401 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -95.3 144.75 25.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.31 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.42 -40.65 6.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 172.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 67.84 15.22 9.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.282 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 60.06 -169.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.612 178.912 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.599 0.238 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.65 157.39 32.47 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.661 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -83.18 -66.47 0.89 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.764 0.282 . . . . 0.0 110.587 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.8 m 57.23 24.52 9.96 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.36 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -99.45 88.36 3.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -177.29 154.89 1.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.509 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.41 ' CG ' ' H ' ' A' ' 8' ' ' HIS . 8.5 p80 -140.35 -79.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.265 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.41 ' H ' ' CG ' ' A' ' 7' ' ' HIS . 33.5 m80 -160.99 175.16 12.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.748 -175.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.9 128.37 14.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 169.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -147.73 129.27 14.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.448 . . . . 0.0 110.891 -170.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -100.47 128.72 46.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.395 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -153.08 22.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 110.822 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.51 145.3 23.89 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.868 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -142.9 122.59 13.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.878 0.339 . . . . 0.0 110.294 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -166.2 -62.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.612 0.57 . . . . 0.0 110.106 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' MET . 50.5 t30 -143.82 156.96 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.572 -177.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HG ' ' H ' ' A' ' 22' ' ' MET . 5.0 tt -166.83 114.33 0.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -132.04 -45.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -73.29 -105.78 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.925 0.393 . . . . 0.0 111.108 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -106.53 -32.29 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.78 115.68 0.51 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.841 174.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.753 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 1.3 mpt? -88.93 -173.45 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 172.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.7 p 52.49 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.025 0.828 . . . . 0.0 112.161 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 70.8 -63.61 0.41 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.11 -173.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.5 m -64.64 -26.28 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.357 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -53.77 -40.27 66.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -68.96 -38.77 79.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.739 0.304 . . . . 0.0 111.065 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.9 tp10 -85.3 -32.69 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -173.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.08 -41.38 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.657 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.07 -34.03 49.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.673 ' HG2' ' HA ' ' A' ' 87' ' ' LEU . 89.1 mtt180 -61.15 -42.66 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 12.3 mptt -57.85 -32.32 67.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.059 -177.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.662 ' HA ' ' HB2' ' B' ' 79' ' ' PRO . 53.4 mt -64.48 -47.46 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.194 0.521 . . . . 0.0 110.405 177.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.84 -32.66 59.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.12 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.447 ' OG1' ' HA ' ' A' ' 32' ' ' LYS . 2.6 p -62.01 -30.42 70.94 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -173.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.65 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -72.98 -32.84 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.634 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.39 -27.32 41.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.55 -57.29 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.565 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.45 ' OG1' ' HD3' ' B' ' 57' ' ' LYS . 5.7 t -155.98 90.19 1.2 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.341 1.067 . . . . 0.0 110.823 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.556 ' O ' ' HE2' ' A' ' 57' ' ' LYS . . . -140.89 -36.01 0.47 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.029 -1.442 . . . . 0.0 109.207 172.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.5 mt -70.62 124.56 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -105.31 145.95 30.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 0.0 110.942 -173.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.914 HD11 ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -102.54 126.6 56.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.679 178.319 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.62 130.15 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.132 0.492 . . . . 0.0 110.352 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -99.4 138.7 36.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.785 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -97.8 168.62 10.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.834 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.62 -43.98 19.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -139.32 112.33 8.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.814 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.96 -29.84 1.0 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.221 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.8 163.13 18.38 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.499 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.914 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -73.87 142.05 46.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 122.66 0.384 . . . . 0.0 111.008 176.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -127.35 135.45 50.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.74 ' HB3' ' HB ' ' A' ' 63' ' ' VAL . 27.8 t-20 -89.75 112.79 24.18 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -109.39 112.66 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.181 0.515 . . . . 0.0 111.696 -174.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -88.61 93.43 9.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.728 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -75.19 0.44 16.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.919 -174.4 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' B' ' 40' ' ' THR . 0.3 OUTLIER -86.59 -55.87 3.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.456 -177.565 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.7 p -93.96 -29.09 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.41 . . . . 0.0 110.989 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.77 45.52 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 72' ' ' ILE . . . -117.44 134.55 54.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -101.59 134.71 44.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.182 0.515 . . . . 0.0 110.259 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.74 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 57.2 t -123.18 135.75 26.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.635 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' TRP . 29.5 Cg_exo -63.81 0.78 1.78 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.17 2.58 . . . . 0.0 113.396 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.557 ' H ' HG12 ' A' ' 63' ' ' VAL . 70.2 t-105 72.84 151.05 0.11 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.62 0.768 . . . . 0.0 111.149 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.61 -60.55 0.53 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.714 0.806 . . . . 0.0 109.882 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.96 123.2 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.78 HG23 ' H ' ' A' ' 70' ' ' ASP . 9.4 t -74.45 -24.14 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.785 0.326 . . . . 0.0 111.017 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.59 0.12 89.74 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.497 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.78 ' H ' HG23 ' A' ' 68' ' ' THR . 32.5 t70 56.72 76.95 0.28 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.58 0.705 . . . . 0.0 110.569 -175.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 39.86 78.06 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.844 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.436 HD13 ' HB1' ' A' ' 61' ' ' ALA . 13.4 tt -50.55 142.92 2.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.353 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -55.3 115.02 2.04 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.489 0.662 . . . . 0.0 110.926 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -76.98 160.32 29.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.082 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.1 125.08 29.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -13.85 59.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.718 0.295 . . . . 0.0 111.772 -170.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.35 -25.5 33.8 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.608 0.242 . . . . 0.0 111.498 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 81' ' ' VAL . 31.6 p -79.38 146.7 66.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.434 -175.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.548 ' HG2' ' HB2' ' B' ' 36' ' ' ALA . 33.1 Cg_exo -64.02 0.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.621 2.881 . . . . 0.0 113.845 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.0 -31.62 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.035 0.445 . . . . 0.0 110.355 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 78' ' ' CYS . 16.2 m -62.66 -38.62 82.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 110.856 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 32.2 mm -75.03 -39.2 44.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.956 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.8 -51.39 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.665 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.93 -51.55 68.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.593 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 82' ' ' ILE . 12.7 pt20 -61.86 -29.8 70.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.663 -172.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 82' ' ' ILE . 75.6 mt -75.77 -50.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.61 0.243 . . . . 0.0 111.48 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.673 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 4.3 pp -81.61 -10.98 59.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 t -112.23 19.69 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -82.66 88.76 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.194 0.521 . . . . 0.0 110.917 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -86.83 147.38 43.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.293 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.95 107.94 0.85 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.854 2.369 . . . . 0.0 112.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -166.37 -165.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.7 -66.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.342 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.46 ' HB3' HG22 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -162.93 151.4 14.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.416 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.26 45.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.099 0.476 . . . . 0.0 111.802 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 94' ' ' HIS . 3.8 m . . . . . 0 C--O 1.247 0.933 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.149 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.668 0.27 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.41 153.57 24.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.718 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -126.95 150.11 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.7 0.286 . . . . 0.0 110.55 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 66.6 m -145.59 112.73 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 0.0 110.566 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -129.88 17.18 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.97 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -86.16 128.32 34.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.523 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -85.42 150.94 24.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.583 174.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -164.32 117.07 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.28 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -133.33 137.55 45.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 170.33 137.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.416 1.073 . . . . 0.0 108.657 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.8 p -128.78 140.09 51.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.94 0.4 . . . . 0.0 111.573 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' SER . . . . . 0.422 ' H ' ' HB2' ' B' ' 24' ' ' ASP . 8.7 m -116.96 104.32 11.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.67 83.9 1.13 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.206 -174.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.502 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 35.0 ttt180 -135.3 142.36 45.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.502 ' HG2' ' HG2' ' B' ' 14' ' ' ARG . 50.7 mm-40 60.36 95.58 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 O-C-N 124.066 0.854 . . . . 0.0 111.003 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -78.26 103.51 8.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.954 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 mp -85.59 -84.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.96 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -133.27 -70.53 0.53 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.032 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.447 ' HB2' ' HG2' ' B' ' 22' ' ' MET . 39.1 m-85 -86.13 70.72 10.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.181 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 45.87 73.78 0.16 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.845 0.716 . . . . 0.0 112.035 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' B' ' 15' ' ' GLU . . . 86.35 -47.83 3.81 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.526 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.723 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 80.8 mtp 68.25 9.21 7.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.375 0.67 . . . . 0.0 112.241 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -93.85 -58.59 2.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.329 0.585 . . . . 0.0 110.207 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.422 ' HB2' ' H ' ' B' ' 12' ' ' SER . 2.0 m-20 -101.26 -55.13 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.312 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -60.57 -27.74 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.372 -174.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.723 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -57.82 -46.34 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.98 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.52 -28.79 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.742 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.536 ' HG3' ' NH2' ' B' ' 31' ' ' ARG . 25.8 tt0 -78.85 -39.2 35.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.376 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.65 -27.19 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.589 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.85 -30.1 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.045 0.45 . . . . 0.0 109.853 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.536 ' NH2' ' HG3' ' B' ' 28' ' ' GLU . 45.6 ttp180 -55.69 -30.15 60.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 174.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -53.04 -55.37 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.895 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 29.2 pt -77.47 -28.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.108 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.566 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.37 -32.36 73.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -73.97 -34.79 64.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.381 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . . . -61.51 -52.63 63.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.554 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.2 pp -62.93 -23.5 67.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.652 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -78.52 -40.14 35.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.435 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -91.9 -38.92 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.773 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.578 HG23 ' HG ' ' A' ' 58' ' ' LEU . 3.0 t -148.06 87.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 111.511 -177.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -158.74 -60.92 0.07 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.91 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.437 HG23 ' O ' ' B' ' 55' ' ' GLN . 49.3 mm -75.42 117.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.331 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.16 171.67 7.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 0.0 111.322 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.714 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -137.19 127.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.249 -176.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 53' ' ' HIS . 9.9 m -101.05 111.1 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.963 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.1 p -98.66 123.92 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.501 0.667 . . . . 0.0 112.207 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' B' ' 51' ' ' GLY . 15.0 mm-40 -88.17 116.92 26.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.427 171.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.28 -29.65 70.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.16 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.26 -55.4 8.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.767 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.92 89.26 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.703 -1.237 . . . . 0.0 114.13 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' B' ' 47' ' ' GLU . . . 136.55 123.18 2.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.702 166.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.714 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -106.93 126.28 52.11 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.402 ' HB2' HG23 ' B' ' 45' ' ' VAL . 91.5 m-70 -113.47 109.02 17.99 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.052 -175.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.942 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 58.7 t30 -91.66 115.61 28.19 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 173.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.437 ' O ' HG23 ' B' ' 42' ' ' ILE . 40.7 mt-30 -101.98 119.25 38.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 0.0 112.034 -168.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.21 79.22 3.99 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.45 ' HD3' ' OG1' ' A' ' 40' ' ' THR . 15.6 ptpt -70.11 -1.54 10.3 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.212 -169.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.77 -23.81 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.632 0.253 . . . . 0.0 111.388 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.77 -53.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.33 63.39 0.14 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.723 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' B' ' 72' ' ' ILE . . . -137.4 147.17 45.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 25.5 m -125.93 124.64 41.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.942 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 72.3 t -107.46 131.04 22.01 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.694 178.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 21.1 Cg_exo -67.65 -4.34 11.95 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.993 2.462 . . . . 0.0 112.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.805 ' H ' HG12 ' B' ' 63' ' ' VAL . 68.9 t-105 65.98 160.41 0.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.116 0.566 . . . . 0.0 111.347 178.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp 72.74 -15.38 0.51 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.884 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -82.72 35.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.582 0.23 . . . . 0.0 110.714 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m 73.07 -47.46 0.67 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.061 0.545 . . . . 0.0 111.308 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.411 ' C ' ' H ' ' B' ' 71' ' ' GLU . . . 171.76 -23.33 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 t70 77.67 -25.85 0.19 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.756 0.823 . . . . 0.0 111.142 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' B' ' 69' ' ' GLY . 2.6 mp0 56.04 30.27 15.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.78 0.832 . . . . 0.0 112.614 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.56 HD13 ' HB1' ' B' ' 61' ' ' ALA . 7.0 tt -62.51 127.51 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.118 174.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' B' ' 74' ' ' HIS . 79.0 tttt -68.42 152.59 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.933 0.397 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.502 ' N ' ' HG2' ' B' ' 73' ' ' LYS . 36.7 m80 -119.77 168.05 11.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.079 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -54.49 131.63 43.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.766 0.666 . . . . 0.0 111.94 -176.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -70.31 -13.79 62.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.707 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.26 -1.08 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.854 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 71.2 m -97.39 143.28 25.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.662 ' HB2' ' HA ' ' A' ' 33' ' ' ILE . 33.3 Cg_endo -63.94 -9.28 18.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.936 2.424 . . . . 0.0 112.485 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' B' ' 84' ' ' LYS . 44.4 t -57.76 -42.73 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.781 177.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.436 HG12 ' O ' ' B' ' 78' ' ' CYS . 7.1 p -66.36 -39.79 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.23 0.538 . . . . 0.0 110.239 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 86' ' ' ILE . 37.7 mm -59.41 -52.82 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.426 177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.43 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' B' ' 80' ' ' VAL . 6.2 mptp? -63.57 -38.78 92.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.273 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 81' ' ' VAL . 55.8 mt-30 -62.97 -41.24 99.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 82' ' ' ILE . 76.0 mt -67.91 -46.39 82.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.421 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.566 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.6 pp -71.44 -21.2 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.182 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -84.16 -71.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t 47.38 87.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.266 0.626 . . . . 0.0 111.945 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.516 ' NE ' ' HA ' ' B' ' 90' ' ' ARG . 3.4 mmp_? -117.73 90.3 35.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.678 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -90.18 135.18 2.2 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.977 2.451 . . . . 0.0 112.366 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.83 171.82 7.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.141 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.02 149.85 20.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -135.23 143.15 46.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.817 0.341 . . . . 0.0 110.977 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 118.31 13.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.453 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.334 177.891 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 ttp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.604 0.24 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.5 -102.47 2.92 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.866 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -76.3 141.03 41.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.937 0.398 . . . . 0.0 111.388 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -109.32 -168.1 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.573 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.235 0.541 . . . . 0.0 111.573 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -87.43 -172.78 4.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.977 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -138.53 -161.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 74.42 97.02 0.07 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.637 0.732 . . . . 0.0 112.198 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.76 172.06 13.56 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.66 ' HB2' ' OD2' ' A' ' 24' ' ' ASP . 66.1 m-70 -78.42 93.69 4.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.166 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.3 p -77.13 -26.58 53.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.754 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -90.65 113.9 26.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.13 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.77 -99.21 0.14 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.93 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' HG3' HG21 ' A' ' 25' ' ' THR . 38.9 mtt180 54.55 36.47 25.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.169 0.509 . . . . 0.0 111.682 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -74.66 -34.98 62.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.548 0.69 . . . . 0.0 109.225 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 22' ' ' MET . 1.3 p30 -99.75 127.31 45.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.937 173.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.9 -35.16 7.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -171.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' ' 22' ' ' MET . 3.8 t80 -135.26 173.12 12.07 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.984 -175.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CZ ' HG21 ' B' ' 30' ' ' VAL . 69.8 m-85 -76.12 62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.471 -173.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -129.06 -36.91 1.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.802 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.12 45.35 0.67 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.406 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.445 ' HA ' ' HB2' ' A' ' 16' ' ' ASN . 37.2 mtt -71.28 158.28 36.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.07 0.462 . . . . 0.0 111.224 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 m -145.0 -47.41 0.23 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.561 -171.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.66 ' OD2' ' HB2' ' A' ' 10' ' ' HIS . 4.1 t70 -151.48 -60.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.446 HG21 ' HG3' ' A' ' 14' ' ' ARG . 3.0 m -63.12 -14.31 47.05 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -170.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -56.62 -35.28 68.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.774 0.321 . . . . 0.0 111.588 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.77 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.425 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.67 -45.99 90.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.41 -31.19 24.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 26' ' ' ALA . 73.7 t -61.9 -48.26 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.87 -29.44 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.189 177.597 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.1 ttmt -59.65 -51.85 68.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.985 -177.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -72.32 -33.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.203 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -65.51 -37.96 88.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -62.84 -47.87 81.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.421 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.4 pp -72.6 -29.6 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 7.0 tp -67.97 -33.04 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.597 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 52.5 mtpt -74.54 -34.01 62.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.503 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -94.75 -40.23 9.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HA ' ' HD3' ' A' ' 57' ' ' LYS . . . -82.91 -9.11 59.46 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.617 0.246 . . . . 0.0 111.434 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.3 mt -128.27 87.5 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -142.05 148.52 38.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.529 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 23.8 pt -82.7 122.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.999 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 m -90.02 112.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.57 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 4.4 m -88.27 131.14 34.9 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.205 0.526 . . . . 0.0 111.972 -171.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -78.41 144.63 35.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 166.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -62.04 -38.93 90.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.345 0.593 . . . . 0.0 110.347 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -136.84 102.47 4.89 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.768 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.69 -112.64 0.53 Allowed Glycine 0 C--N 1.314 -0.662 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.653 -175.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.11 139.63 8.04 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.399 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 44' ' ' ILE . . . -72.42 128.36 35.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.862 0.363 . . . . 0.0 110.391 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -104.86 118.76 37.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.658 ' HB2' HG22 ' A' ' 44' ' ' ILE . 7.6 t30 -96.22 118.97 33.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 0.0 110.341 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.794 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 27.2 mp0 -106.65 138.95 41.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.1 t -94.68 92.99 7.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 166.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 41' ' ' ALA . 28.0 mtpp -52.61 -42.67 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -166.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.461 HD22 HG23 ' A' ' 80' ' ' VAL . 6.8 mp -77.68 -16.27 58.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -175.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 74' ' ' HIS . 82.6 m -97.34 -27.76 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.883 0.373 . . . . 0.0 110.548 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.96 32.58 44.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.102 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.7 143.05 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.794 ' HB3' ' HG3' ' A' ' 55' ' ' GLN . 5.4 p -129.86 140.55 50.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.435 . . . . 0.0 110.926 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.91 140.06 16.75 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -50.02 142.91 25.97 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 122.844 2.363 . . . . 0.0 112.406 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.498 ' H ' ' HE3' ' A' ' 65' ' ' TRP . 2.0 p90 -57.28 -21.98 38.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.332 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.03 -38.91 89.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.973 -173.626 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.79 -102.12 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t 175.08 148.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.283 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.25 5.78 55.71 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -89.77 -47.57 7.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -90.8 -4.46 56.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.969 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.407 HG12 ' N ' ' A' ' 73' ' ' LYS . 12.2 tt -74.03 163.13 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.582 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' N ' HG12 ' A' ' 72' ' ' ILE . 34.4 ttpt -67.86 138.71 56.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 p-80 -142.04 -173.95 3.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 -173.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.26 105.66 17.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.591 ' HA ' HG21 ' A' ' 81' ' ' VAL . 14.2 m-20 -73.2 -6.85 48.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.342 0.591 . . . . 0.0 111.084 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.8 -30.29 65.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.833 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.2 p -73.04 146.43 87.32 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.419 . . . . 0.0 111.314 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HB2' HG22 ' B' ' 33' ' ' ILE . 35.1 Cg_endo -65.32 -11.18 29.0 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.022 2.481 . . . . 0.0 113.149 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG23 HD22 ' A' ' 58' ' ' LEU . 61.0 t -63.86 -39.4 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.267 0.555 . . . . 0.0 109.923 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 76' ' ' ASP . 38.6 t -70.45 -35.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.058 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.3 mm -59.74 -54.61 32.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.042 175.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.86 87.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.27 -45.53 90.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.968 0.414 . . . . 0.0 110.454 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.0 mt -64.18 -52.9 50.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.575 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.38 -21.02 65.63 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.612 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.567 ' HB3' ' HG2' ' A' ' 90' ' ' ARG . 61.7 m -79.89 -34.0 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.745 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.1 m 58.76 36.49 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 111.292 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 16.7 ptm180 -139.67 156.48 71.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.586 -177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.24 173.56 14.28 Favored 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 122.597 2.198 . . . . 0.0 112.055 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.05 102.41 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.453 ' HB3' HH21 ' A' ' 90' ' ' ARG . 7.3 tt -125.03 130.14 51.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.893 -177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -141.23 132.67 26.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.948 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.19 132.69 34.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.598 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.82 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.557 0.218 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.37 -31.59 2.91 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.862 173.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m 73.65 -69.25 0.19 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.34 0.656 . . . . 0.0 110.686 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' B' ' 5' ' ' HIS . 50.7 m 62.1 -169.87 0.17 Allowed 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.245 0.341 . . . . 0.0 111.591 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' B' ' 4' ' ' SER . 19.1 m80 73.3 123.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.173 0.589 . . . . 0.0 111.743 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -89.77 159.0 17.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.8 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -110.9 109.9 20.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.9 0.381 . . . . 0.0 110.948 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -119.18 122.92 43.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -123.91 140.51 52.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.429 0.633 . . . . 0.0 112.163 -171.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -123.06 131.18 53.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.14 172.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -146.15 104.79 3.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 111.274 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -132.13 114.46 14.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.565 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.46 166.27 54.65 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.597 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -107.78 6.22 27.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.47 81.76 0.14 Allowed 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.735 0.647 . . . . 0.0 109.767 -173.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.12 146.42 37.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.09 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.74 121.49 19.94 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.486 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.419 ' HD1' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -80.4 167.58 20.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.985 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -73.8 2.44 8.38 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -98.41 102.78 14.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.062 0.458 . . . . 0.0 110.266 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . 102.88 -75.44 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.081 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' B' ' 21' ' ' GLY . 19.1 mmt 67.39 109.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.368 0.604 . . . . 0.0 111.139 -175.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.9 p -84.18 45.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -173.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t70 72.58 -54.03 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 173.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -57.92 -20.04 34.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.427 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.198 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.39 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.245 0.545 . . . . 0.0 110.222 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 20.8 mm-40 -67.91 -28.61 67.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.304 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.01 -44.6 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 110.835 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.463 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 84.6 t -66.34 -30.78 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 110.643 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.45 -32.5 74.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.314 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 64.4 mttp -73.56 -43.05 60.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.263 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.488 HG22 ' HB2' ' A' ' 79' ' ' PRO . 37.5 pt -65.43 -32.82 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 83' ' ' ALA . . . -69.3 -38.77 78.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.441 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.6 m -67.31 -29.27 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -54.42 -37.82 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.407 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.721 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.8 pp -73.69 -24.62 59.97 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.968 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.43 -26.95 52.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.111 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.444 ' HB3' ' HE3' ' B' ' 39' ' ' LYS . 27.8 mmmt -68.2 -55.32 12.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.087 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 8.3 t -175.25 83.02 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.397 1.094 . . . . 0.0 111.036 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.721 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -113.29 -37.82 4.59 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.15 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HE2' ' A' ' 57' ' ' LYS . 32.7 mt -71.1 136.57 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.866 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -117.42 148.03 42.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.44 . . . . 0.0 110.419 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -106.97 121.9 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.149 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.555 HG23 ' HB2' ' B' ' 53' ' ' HIS . 14.1 m -87.63 115.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -92.53 159.4 15.52 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.034 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.572 ' HG3' ' HA3' ' B' ' 51' ' ' GLY . 36.7 mt-10 -72.13 170.88 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.496 172.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -66.21 -38.78 88.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.83 -50.64 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.985 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.72 -81.87 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.572 ' HA3' ' HG3' ' B' ' 47' ' ' GLU . . . 54.19 -175.31 0.46 Allowed Glycine 0 N--CA 1.439 -1.14 0 CA-C-O 121.703 0.613 . . . . 0.0 114.516 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 51' ' ' GLY . . . 172.5 101.55 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.355 -1.423 . . . . 0.0 110.62 171.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.555 ' HB2' HG23 ' B' ' 45' ' ' VAL . 26.8 m-70 -113.03 110.51 20.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.007 0.432 . . . . 0.0 109.996 174.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.621 ' HB3' ' HD2' ' B' ' 64' ' ' PRO . 6.0 t30 -98.33 106.58 18.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.524 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -127.37 146.79 50.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' B' ' 61' ' ' ALA . 68.0 m -102.08 136.41 41.97 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.025 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -80.41 22.41 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.688 HD23 ' HD2' ' B' ' 79' ' ' PRO . 6.5 mp -104.26 -92.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.246 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' B' ' 74' ' ' HIS . 8.1 p -91.66 4.0 53.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.329 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.65 40.5 6.75 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.861 -176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' B' ' 56' ' ' CYS . . . -64.19 145.31 56.19 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.43 ' HB3' HD13 ' B' ' 72' ' ' ILE . 12.7 t -100.26 -170.47 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 111.848 -166.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.737 HG12 ' H ' ' B' ' 65' ' ' TRP . 58.7 t -95.2 123.13 58.03 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.784 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' B' ' 54' ' ' ASN . 97.8 Cg_endo -89.46 5.35 4.81 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.898 2.398 . . . . 0.0 112.502 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.737 ' H ' HG12 ' B' ' 63' ' ' VAL . 14.5 t-105 -77.1 -171.41 2.01 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.01 -9.22 58.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.19 -168.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.0 110.661 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.7 m -71.57 93.44 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.449 0.642 . . . . 0.0 110.459 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.649 ' HA3' ' O ' ' B' ' 63' ' ' VAL . . . -148.76 110.05 0.47 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.247 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -146.77 -39.27 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.086 0.47 . . . . 0.0 110.856 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.71 77.94 9.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.792 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' B' ' 62' ' ' SER . 43.8 mm -73.91 98.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.453 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -82.89 105.82 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.274 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.572 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 14.4 p80 -128.92 119.05 23.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.228 0.537 . . . . 0.0 110.219 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.602 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -84.31 147.64 27.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.999 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.25 -4.32 59.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.564 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -94.3 -6.1 45.19 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.518 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 89.2 m -65.37 141.65 98.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.688 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.9 Cg_exo -57.11 -16.41 21.25 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.233 2.622 . . . . 0.0 113.273 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 89.9 t -64.67 -43.67 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.191 0.52 . . . . 0.0 109.905 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.98 -39.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.572 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.43 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.1 mm -62.21 -47.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.412 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 34' ' ' ALA . . . -54.83 -44.94 74.34 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 84.6 mttt -56.51 -50.21 72.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.559 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.81 -27.88 69.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.766 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.8 mt -75.69 -46.64 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 111.093 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.3 -15.73 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.79 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 64.0 m -84.39 90.82 7.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 111.312 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.4 p -80.0 -14.91 58.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.496 0.665 . . . . 0.0 109.684 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 90' ' ' ARG . 13.0 ptt180 -103.98 100.08 19.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.243 173.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -86.54 119.3 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.573 2.182 . . . . 0.0 112.97 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -82.89 111.88 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.369 0.604 . . . . 0.0 110.2 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' B' ' 94' ' ' HIS . 61.0 tp -75.93 125.28 28.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.412 176.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' B' ' 93' ' ' LEU . 83.3 t60 75.01 134.07 0.05 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.171 0.919 . . . . 0.0 110.342 -176.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.66 107.18 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.555 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.759 175.406 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.88 25.26 3.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.261 -0.971 . . . . 0.0 113.473 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -83.3 88.51 6.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.584 0.707 . . . . 0.0 109.839 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.8 p -84.96 104.08 14.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.241 -175.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -97.05 88.42 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 174.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.02 117.34 7.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -125.31 125.01 42.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.217 -172.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -121.05 87.08 2.69 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 128.78 14.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.418 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -86.02 109.24 18.66 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 m -56.33 130.08 43.12 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.445 0.466 . . . . 0.0 111.527 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -81.38 -166.47 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.104 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.18 151.51 6.12 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.186 -1.007 . . . . 0.0 112.104 176.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 21.7 ptt180 179.0 -171.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HG3' ' HG3' ' A' ' 14' ' ' ARG . 40.7 mt-10 67.64 -168.75 0.19 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -175.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -166.39 105.07 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.512 0.672 . . . . 0.0 111.862 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD12 HG22 ' A' ' 23' ' ' THR . 42.1 mt -112.7 119.91 39.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -70.68 167.78 17.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.878 -172.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 20' ' ' GLN . 65.7 m-85 -55.18 150.93 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.138 -173.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' B' ' 22' ' ' MET . 29.9 tt0 79.16 -35.55 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.968 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.82 48.41 0.94 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -94.8 -178.77 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.838 0.351 . . . . 0.0 110.973 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.486 HG22 HD12 ' A' ' 17' ' ' LEU . 15.1 t -157.2 -165.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.979 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.64 -58.31 8.03 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.164 0.586 . . . . 0.0 112.456 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 m -62.13 -36.48 81.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.53 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.84 65.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 111.723 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.03 73.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 7.5 tp10 -75.24 -37.33 61.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.934 -174.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 7.1 m-20 -72.17 -36.43 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.22 -39.41 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 0.0 109.585 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.93 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 58.6 ttt180 -61.38 -38.01 85.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.289 174.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.5 ttmt -58.43 -43.9 88.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.845 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.489 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 58.4 mt -61.15 -46.66 96.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.446 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -31.95 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.466 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -72.32 -34.58 68.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.34 68.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 40.8 mt -62.59 -29.48 70.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.7 -176.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.74 -31.59 69.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 39' ' ' LYS . 26.3 mtpp -92.43 -57.14 2.78 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.003 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 m -116.29 41.11 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.139 0.495 . . . . 0.0 111.659 -169.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -141.78 21.26 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.044 0.45 . . . . 0.0 110.278 172.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.414 HG22 HD22 ' A' ' 54' ' ' ASN . 50.3 mm -124.9 109.44 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' CD ' ' HZ3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -108.81 161.71 14.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.699 0.761 . . . . 0.0 112.26 -172.503 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -119.76 126.1 74.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.803 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.71 129.23 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.245 0.545 . . . . 0.0 110.33 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -88.03 137.71 32.09 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.182 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' OE1' ' HA3' ' A' ' 51' ' ' GLY . 46.3 mt-10 -83.93 142.64 30.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.834 0.35 . . . . 0.0 110.749 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.58 -42.12 98.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.091 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.54 -49.69 38.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.299 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.4 100.64 0.17 Allowed Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.523 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' HA3' ' OE1' ' A' ' 47' ' ' GLU . . . -177.87 160.91 27.66 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.755 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.18 105.21 5.92 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 120.851 0.358 . . . . 0.0 110.284 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -112.97 118.15 34.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 24.8 t-20 -81.4 105.94 12.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 175.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -123.65 133.96 53.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.27 0.557 . . . . 0.0 112.004 -166.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.78 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 4.9 p -81.84 113.23 19.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.991 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HZ3' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -61.58 -14.5 30.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.841 -176.415 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -140.21 91.44 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 110.268 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.78 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 44.9 t 168.4 -38.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.59 24.45 39.13 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.612 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.54 147.55 45.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.728 0.299 . . . . 0.0 111.294 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -107.57 127.55 53.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.238 0.542 . . . . 0.0 110.474 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.0 t -101.25 140.94 21.68 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.398 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.51 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 9.3 Cg_endo -53.37 135.18 59.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.581 2.187 . . . . 0.0 112.101 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.447 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 25.4 t-105 -62.73 144.09 56.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.665 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 95.3 mt 75.82 30.18 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 124.094 0.871 . . . . 0.0 110.888 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -111.3 165.58 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.657 173.593 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.1 m -61.94 -38.03 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.757 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.1 -81.55 0.36 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.87 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.76 98.09 4.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 110.363 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.17 27.1 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.141 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.3 tt -144.94 165.87 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.973 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.71 153.74 35.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.744 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 92.5 m-70 -127.09 177.74 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 78' ' ' CYS . . . -87.47 172.91 9.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.234 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.7 -33.04 71.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.795 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.96 16.09 12.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.62 0.724 . . . . 0.0 109.338 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.2 t -54.48 115.01 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.921 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.577 ' HG2' HD22 ' A' ' 58' ' ' LEU . 54.0 Cg_exo -54.69 -28.28 55.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.246 2.631 . . . . 0.0 112.462 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 61.1 t -59.33 -34.76 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 176.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.6 t -73.11 -38.43 55.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.117 0.484 . . . . 0.0 110.063 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' B' ' 29' ' ' ASP . 48.3 mm -65.96 -41.81 90.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.024 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -57.46 -42.64 82.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.235 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 88' ' ' SER . 68.4 mttm -58.31 -37.29 74.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.426 . . . . 0.0 110.98 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -71.03 -38.98 72.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.952 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.4 mt -71.62 -40.34 70.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.632 -178.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.93 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -80.98 -1.11 42.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.074 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.5 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 1.6 t -92.16 176.39 6.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.215 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 p 177.33 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -94.31 125.05 53.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.323 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.894 ' HA ' ' HG3' ' B' ' 15' ' ' GLU . 84.3 Cg_exo -45.71 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.318 2.679 . . . . 0.0 113.452 -176.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -96.56 20.38 10.81 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 64.88 -171.93 0.18 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.213 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.6 m80 71.0 -92.02 0.03 OUTLIER 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.876 0.87 . . . . 0.0 110.598 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 57.15 33.62 23.6 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.406 0.441 . . . . 0.0 111.426 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.248 0.992 0 CA-C-O 117.626 -1.178 . . . . 0.0 109.744 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tmm? . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.65 161.77 36.39 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.19 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -97.84 138.39 35.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -114.09 -173.87 2.36 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.488 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -146.35 110.44 5.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -80.83 85.88 6.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.599 . . . . 0.0 111.644 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -115.24 139.47 49.93 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 174.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -161.62 136.18 7.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 111.334 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -81.73 -179.43 7.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.963 171.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -88.1 141.95 28.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -90.85 67.97 6.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.025 0.44 . . . . 0.0 110.944 -174.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -75.38 104.03 5.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.564 . . . . 0.0 110.396 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.22 164.5 24.81 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -117.5 124.0 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.894 ' HG3' ' HA ' ' A' ' 91' ' ' PRO . 40.6 mm-40 -86.24 94.49 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.708 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -167.49 -177.75 3.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.015 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.17 64.25 4.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -77.29 -5.18 48.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.026 -174.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -74.16 -21.88 59.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.729 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.84 -47.94 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 109.838 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.29 54.23 3.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.424 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 51.8 tpp -109.6 143.63 39.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.578 0.227 . . . . 0.0 110.536 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -148.31 107.86 3.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.093 0.473 . . . . 0.0 109.931 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.21 -167.98 0.17 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.656 -175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.599 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 51.2 m 72.7 -41.94 0.52 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -57.32 -46.84 82.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.599 ' OE2' ' HA ' ' B' ' 25' ' ' THR . 41.1 mt-10 -57.72 -49.9 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.255 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.807 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 7.4 m-20 -88.71 -25.1 22.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 26' ' ' ALA . 43.0 t -60.4 -38.36 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 109.961 175.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -61.93 -28.74 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.741 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.807 ' HD3' ' HA ' ' B' ' 29' ' ' ASP . 2.9 mptm? -56.18 -55.72 29.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.805 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 pt -74.17 -34.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.74 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.44 -39.95 95.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.263 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' B' ' 39' ' ' LYS . 27.0 m -74.25 -36.07 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 0.0 110.412 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.8 72.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.599 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.841 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.1 pp -70.52 -24.29 62.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.305 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.559 ' HG ' ' HE2' ' B' ' 84' ' ' LYS . 7.9 tt -77.24 -36.19 54.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.197 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 35' ' ' THR . 48.6 mtpt -85.13 -44.68 12.76 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.242 -175.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.536 ' HB ' ' HG2' ' A' ' 57' ' ' LYS . 4.2 m -158.86 90.67 1.0 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.074 0.464 . . . . 0.0 109.988 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -123.67 -28.25 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.824 HG21 ' HA ' ' B' ' 56' ' ' CYS . 1.2 pp -104.69 175.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.94 147.0 32.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.605 0.717 . . . . 0.0 111.658 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 1.145 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -112.13 120.41 62.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.876 172.177 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.58 122.16 52.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.174 0.511 . . . . 0.0 110.262 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 11.4 p -80.57 153.23 28.17 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.216 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -72.15 178.07 4.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -50.12 -51.0 46.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.281 0.562 . . . . 0.0 109.53 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -171.63 107.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.951 168.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.96 -80.49 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.026 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.45 -161.23 12.43 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.702 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 1.145 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -145.38 153.35 41.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.311 -0.444 . . . . 0.0 110.389 -176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -133.21 110.99 10.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.756 0.312 . . . . 0.0 110.421 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASN . . . . . 0.456 ' HB3' ' CG1' ' B' ' 63' ' ' VAL . 30.4 t-20 -103.54 115.22 30.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -110.04 158.23 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.824 ' HA ' HG21 ' B' ' 42' ' ' ILE . 78.5 m -122.18 103.96 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.2 62.21 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.677 -174.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tp -162.72 -64.38 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.06 13.26 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.254 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.15 56.33 25.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.328 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.31 150.27 38.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -143.43 153.69 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 14.2 p -133.07 139.28 33.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 39.8 Cg_endo -68.0 0.03 4.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.93 2.42 . . . . 0.0 113.436 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' B' ' 66' ' ' LEU . 30.4 t-105 70.4 149.72 0.08 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.726 0.641 . . . . 0.0 110.752 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' B' ' 65' ' ' TRP . 53.1 tp 78.11 -47.42 0.46 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.365 0.666 . . . . 0.0 111.639 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -59.95 -43.68 94.87 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 109.935 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -163.2 159.77 23.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.966 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.79 11.07 12.13 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' B' ' 71' ' ' GLU . 30.6 t70 -138.19 -143.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.494 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 5.6 pt-20 55.08 16.09 1.44 Allowed 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.611 1.164 . . . . 0.0 111.383 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.12 83.86 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -138.27 31.25 2.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.024 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -74.63 -2.31 25.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.031 -174.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.5 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -107.97 -21.57 12.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.764 0.316 . . . . 0.0 111.257 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -91.36 -6.33 53.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.006 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 80.8 m -77.24 132.62 69.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.971 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -47.88 -44.32 27.47 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.805 3.003 . . . . 0.0 113.947 -175.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.652 HG13 HD13 ' B' ' 37' ' ' LEU . 78.1 t -58.4 -43.83 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.939 0.4 . . . . 0.0 110.851 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.475 HG12 HE22 ' B' ' 85' ' ' GLN . 4.6 t -74.22 -35.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.395 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.8 mm -52.81 -45.98 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.07 0.462 . . . . 0.0 110.096 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 -36.27 74.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.826 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' LYS . . . . . 0.559 ' HE2' ' HG ' ' B' ' 38' ' ' LEU . 90.9 mttt -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.475 HE22 HG12 ' B' ' 81' ' ' VAL . 1.1 mp0 -59.42 -37.11 77.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 74.5 mt -70.85 -46.91 66.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.55 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.74 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.5 pp -72.51 -14.13 61.58 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 67.5 m -79.21 55.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 111.345 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -76.26 112.9 13.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.631 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 20.8 ptt85 -84.51 143.02 40.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.189 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 35.9 Cg_exo -61.61 147.3 95.69 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.082 2.521 . . . . 0.0 112.981 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -76.85 135.43 38.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.647 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.891 ' H ' HD13 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -92.5 155.22 17.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.887 -178.795 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -99.65 106.17 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.927 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.4 118.3 26.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.244 0.814 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.1 178.445 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 22' ' ' MET . 2.6 mm? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.518 0.199 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -59.92 -60.75 3.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HZ ' ' HA ' ' B' ' 27' ' ' ALA . 63.8 m-85 -85.94 62.59 7.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 49.87 -101.53 0.09 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.765 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.24 57.77 4.24 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.936 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 16.5 ttt -75.59 93.58 3.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.981 0.896 . . . . 0.0 111.461 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -172.72 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.968 -1.469 . . . . 0.0 108.291 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -148.75 -35.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.227 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -72.71 -16.19 61.67 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.936 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -51.69 -42.3 62.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.862 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -29.69 59.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.871 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.679 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 35.8 mm-40 -68.71 -55.41 11.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.752 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.03 -44.05 87.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.799 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG12 HG21 ' A' ' 86' ' ' ILE . 55.0 t -68.3 -37.33 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 1.09 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 35.5 ttp-105 -67.21 -33.18 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 56.8 mttm -57.66 -48.64 78.91 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.147 0.499 . . . . 0.0 109.806 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.655 HG22 HD23 ' A' ' 37' ' ' LEU . 44.0 mt -60.04 -52.12 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.354 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.33 78.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.621 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -65.3 -46.21 81.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.489 . . . . 0.0 110.864 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.354 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.655 HD23 HG22 ' A' ' 33' ' ' ILE . 4.5 pp -65.39 -23.99 67.1 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -176.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.0 tt -80.12 -56.95 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 50.7 mtpt -59.98 -35.86 75.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -172.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.671 ' HB ' ' CB ' ' B' ' 57' ' ' LYS . 75.7 p -104.26 12.23 33.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.612 ' HB1' ' HD3' ' A' ' 57' ' ' LYS . . . -131.01 37.15 3.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.88 0.371 . . . . 0.0 111.073 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.76 123.59 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -106.34 128.5 54.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.463 0.649 . . . . 0.0 111.095 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 pt -82.69 112.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.815 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.638 -177.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.548 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 49.0 t-20 -94.73 108.85 20.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.1 128.27 39.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 61' ' ' ALA . 79.4 m -73.22 152.69 40.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.772 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.612 ' HD3' ' HB1' ' A' ' 41' ' ' ALA . 42.8 pttt -38.0 -56.27 1.16 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD23 ' HD2' ' A' ' 79' ' ' PRO . 11.0 mp -92.38 15.02 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.0 m 63.56 11.56 5.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.507 0.323 . . . . 0.0 111.665 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.752 ' HA2' ' HB3' ' A' ' 75' ' ' ALA . . . -74.83 -10.24 83.45 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.751 -177.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -152.58 132.39 13.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -136.3 134.96 38.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.867 0.365 . . . . 0.0 110.332 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 8.7 p -144.7 141.91 18.29 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.239 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.16 146.98 8.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.553 2.169 . . . . 0.0 112.162 173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -65.94 -9.2 27.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.528 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.49 -21.48 66.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.183 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 65.03 96.61 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.897 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -99.88 -43.42 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.598 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.701 171.195 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.5 p80 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.653 0.263 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.752 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -75.06 109.2 8.34 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' HA ' HG11 ' A' ' 81' ' ' VAL . 21.9 t70 -65.52 -30.55 71.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.17 -167.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.28 -23.64 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.471 . . . . 0.0 111.447 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 75.5 m -83.69 140.51 41.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.955 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 27.6 Cg_exo -63.52 0.77 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.508 2.805 . . . . 0.0 113.047 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.426 HG21 ' HA3' ' A' ' 60' ' ' GLY . 46.5 t -64.19 -30.19 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.911 0.386 . . . . 0.0 110.265 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG11 ' HA ' ' A' ' 76' ' ' ASP . 29.1 m -57.36 -47.3 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.004 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.529 ' O ' HG13 ' A' ' 86' ' ' ILE . 10.6 tp -72.35 -36.77 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 110.52 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.257 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.11 -44.94 94.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.848 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -57.97 -37.49 74.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.416 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.67 HG12 ' HE1' ' B' ' 19' ' ' PHE . 75.5 mt -73.95 -50.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.628 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.09 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -76.88 -13.49 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -91.94 -60.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.6 p 50.42 29.27 3.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.031 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.719 -178.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.85 0.357 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.67 ' HE1' HG12 ' A' ' 86' ' ' ILE . 19.8 m-85 -101.89 65.9 1.02 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.201 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 61.56 -90.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.35 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.59 -36.85 4.69 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.72 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 22.6 ttt 70.55 -31.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.167 0.987 . . . . 0.0 113.098 173.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -67.19 -15.07 63.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.927 0.394 . . . . 0.0 110.942 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -149.19 -49.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.28 -13.2 61.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.72 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -60.74 -40.31 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 111.614 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HA ' ' HZ ' ' A' ' 19' ' ' PHE . . . -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.199 -171.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.03 -50.83 66.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.696 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.85 -35.69 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 26' ' ' ALA . 74.2 t -63.19 -44.85 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.21 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.092 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' B' ' 31' ' ' ARG . 57.5 tptt -63.77 -50.58 68.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.576 0.227 . . . . 0.0 110.389 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.82 -28.15 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.745 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 83' ' ' ALA . . . -68.64 -32.83 72.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 176.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -69.4 -29.31 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.4 -24.87 47.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.317 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' B' ' 41' ' ' ALA . 82.1 mt -60.27 -44.63 95.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.542 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 38' ' ' LEU . 6.4 mp -78.72 -25.98 44.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.238 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.39 -52.46 64.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.629 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.414 HG21 ' HB2' ' A' ' 57' ' ' LYS . 10.0 t -152.67 -12.92 0.17 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -70.89 -32.88 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.999 -0.438 . . . . 0.0 111.067 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -85.73 129.51 37.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.597 ' HG2' ' HE3' ' B' ' 57' ' ' LYS . 15.3 pt-20 -163.65 -179.0 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.423 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 24.7 pt -99.41 136.31 31.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.937 0.398 . . . . 0.0 111.244 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 m -88.23 139.82 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -78.05 150.29 33.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.266 0.555 . . . . 0.0 111.26 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.407 ' HB2' ' C ' ' B' ' 51' ' ' GLY . 2.2 mm-40 -89.1 170.8 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.695 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -95.82 -28.14 14.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.5 -61.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.718 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.47 68.6 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.77 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' B' ' 47' ' ' GLU . . . -178.22 -141.96 4.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' B' ' 44' ' ' ILE . . . -162.56 172.15 15.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.66 138.82 47.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 48.6 t-20 -83.86 106.58 15.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.222 0.534 . . . . 0.0 111.032 -175.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.55 154.68 38.51 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 164.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.671 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -67.21 -3.43 7.75 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.044 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.479 ' HB2' ' SG ' ' B' ' 78' ' ' CYS . 5.2 mp -128.66 -96.75 0.39 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 172.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . 0.935 ' HB2' ' HB2' ' B' ' 78' ' ' CYS . 47.8 m -144.26 6.01 1.29 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 178.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . 0.465 ' HA2' HG23 ' B' ' 81' ' ' VAL . . . -63.03 -22.69 65.1 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.072 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.9 139.8 16.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 7.3 t -166.45 133.5 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.615 0.245 . . . . 0.0 110.614 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 9.1 p -176.81 149.18 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 90.6 Cg_exo -45.03 127.18 8.38 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 121.999 1.8 . . . . 0.0 111.145 169.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.537 ' HA ' ' HB2' ' B' ' 54' ' ' ASN . 30.4 p-90 -59.85 -28.35 67.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.27 -169.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.86 17.34 22.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.228 0.537 . . . . 0.0 110.721 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' B' ' 68' ' ' THR . 8.6 tt0 -111.89 113.27 25.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.466 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.655 HG23 ' H ' ' B' ' 69' ' ' GLY . 3.8 t 45.95 -83.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.793 1.237 . . . . 0.0 113.715 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.655 ' H ' HG23 ' B' ' 68' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.589 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.058 0.456 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.698 ' HB3' ' HB3' ' B' ' 59' ' ' CYS . . . -103.06 114.71 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.59 1.82 15.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -164.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.98 -2.53 37.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.075 0.464 . . . . 0.0 110.45 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.935 ' HB2' ' HB2' ' B' ' 59' ' ' CYS . 50.5 t -110.41 134.5 20.81 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.783 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.59 ' O ' HG22 ' B' ' 82' ' ' ILE . 23.2 Cg_exo -65.51 -6.21 13.16 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.269 2.646 . . . . 0.0 113.047 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.647 HG13 HD13 ' B' ' 37' ' ' LEU . 94.4 t -75.39 -29.71 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.2 0.524 . . . . 0.0 110.235 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.465 HG23 ' HA2' ' B' ' 60' ' ' GLY . 63.9 t -70.25 -38.73 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.59 HG22 ' O ' ' B' ' 79' ' ' PRO . 7.2 tp -57.24 -36.97 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.138 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 34' ' ' ALA . . . -59.09 -44.23 91.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.146 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.14 -44.15 92.06 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.048 0.452 . . . . 0.0 110.323 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.08 -36.24 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.8 mt -60.54 -50.94 78.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.93 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.68 -16.96 61.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -84.57 -31.13 24.51 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.651 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.815 177.257 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.936 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG3' ' NH1' ' A' ' 31' ' ' ARG . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 1.119 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.731 HG23 HG23 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.476 HG21 HE21 ' A' ' 55' ' ' GLN . 4.0 m . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.673 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 27.4 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.673 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 61' ' ' ALA . 11.5 t-160 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HA ' HG21 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.635 HG12 ' HB2' ' B' ' 29' ' ' ASP . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.119 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 52.3 mtt180 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.512 ' HG2' ' HB2' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.936 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.635 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.435 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.802 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.497 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.123 0.487 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.537 ' HB2' HG23 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG22 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.587 HG13 HD13 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.513 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.592 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.128 0.489 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -81.89 175.31 10.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.323 -172.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -61.58 164.76 5.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.187 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 77.36 -15.4 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.924 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.81 -101.12 1.46 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.7 ptp 50.57 -167.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.602 1.161 . . . . 0.0 113.72 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 25' ' ' THR . 15.2 t -177.87 -159.82 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.289 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.1 -25.26 61.11 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.586 ' H ' HG23 ' A' ' 23' ' ' THR . 6.5 m -58.04 -35.64 71.6 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.701 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -66.49 -22.32 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.54 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.61 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' HG3' ' HE3' ' A' ' 32' ' ' LYS . 8.4 tp10 -69.49 -46.34 66.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.7 m-20 -69.6 -39.88 77.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.301 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' ALA . 52.6 t -65.89 -33.21 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.131 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 33.0 ttm180 -59.28 -46.68 87.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 173.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HE3' ' HG3' ' A' ' 28' ' ' GLU . 85.2 mttt -53.63 -54.55 36.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.232 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.75 -34.7 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.623 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -66.93 -31.67 72.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 0.0 110.698 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.1 m -61.38 -29.09 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.431 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' B' ' 79' ' ' PRO . . . -54.46 -26.95 34.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.769 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.81 -34.0 75.15 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.77 -24.47 60.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -75.74 -38.67 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.385 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 t -142.45 -25.11 0.65 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.29 -33.39 49.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.02 -0.425 . . . . 0.0 111.008 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.445 HD12 ' SG ' ' A' ' 56' ' ' CYS . 12.7 mm -123.4 91.78 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.528 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -148.2 169.48 19.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.123 0.487 . . . . 0.0 111.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 44' ' ' ILE . 26.1 pt -96.32 121.38 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.783 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.319 -0.724 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.303 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.47 0.176 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -84.72 114.36 21.98 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -121.17 149.03 43.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.4 0.619 . . . . 0.0 111.515 -172.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.445 ' SG ' HD12 ' A' ' 42' ' ' ILE . 70.9 m -114.57 101.27 8.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.909 169.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -67.26 -16.09 64.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' B' ' 41' ' ' ALA . 10.9 mp -81.85 15.57 2.18 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.691 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -161.76 -39.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.958 0.408 . . . . 0.0 110.585 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.47 7.6 39.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.407 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.72 137.6 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -149.92 127.2 11.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.807 0.336 . . . . 0.0 110.461 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG22 ' HD2' ' A' ' 64' ' ' PRO . 4.4 p -130.05 146.26 60.68 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.457 ' HD2' HG22 ' A' ' 63' ' ' VAL . 85.6 Cg_exo -48.91 139.92 24.52 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.291 1.994 . . . . 0.0 111.71 172.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 11.5 p-90 -62.51 167.76 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -176.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 65' ' ' TRP . 10.1 tt 79.17 -43.36 0.31 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.54 0.736 . . . . 0.0 111.7 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.29 155.84 20.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -86.24 -46.83 9.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.642 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.335 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 . . . . . 0 CA--C 1.516 -0.353 0 CA-C-O 121.151 0.5 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.99 165.5 13.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.908 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -73.73 -26.47 60.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.363 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.25 -13.81 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.484 ' O ' HG22 ' A' ' 81' ' ' VAL . 30.3 p -78.09 131.97 68.24 Favored Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.57 -174.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 16.5 Cg_exo -67.9 -0.33 5.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.979 2.453 . . . . 0.0 112.371 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 36.1 t -67.34 -34.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.499 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 78' ' ' CYS . 19.5 m -59.38 -43.67 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp -75.96 -39.69 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -49.31 74.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.671 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 53.7 mtpt -54.68 -51.96 63.87 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -49.82 -39.73 39.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.645 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.4 -51.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.645 0.26 . . . . 0.0 111.695 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' HB1' ' A' ' 34' ' ' ALA . 4.6 pp -71.35 -19.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.61 0.243 . . . . 0.0 111.632 -174.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -93.08 -39.82 10.86 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m 60.63 21.66 11.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.603 0.716 . . . . 0.0 110.055 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.787 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 121.152 0.501 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' B' ' 20' ' ' GLN . 40.9 m-85 -84.46 -5.82 59.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.981 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.487 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 7.8 tp60 76.0 135.8 0.06 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.125 0.89 . . . . 0.0 109.521 -169.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.45 -91.72 1.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.03 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 1.027 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 37.1 ttm 64.81 179.21 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.848 0.459 . . . . 0.0 110.449 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 33.1 p 52.93 89.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.318 0.647 . . . . 0.0 111.844 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 23' ' ' THR . 27.0 m-20 73.84 -60.67 0.52 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.964 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.1 m -61.52 -22.06 64.79 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.607 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 1.027 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -55.24 -32.02 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.011 0.434 . . . . 0.0 111.368 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' B' ' 31' ' ' ARG . . . -73.17 -27.31 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.05 -50.93 52.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.451 ' O ' HG13 ' B' ' 33' ' ' ILE . 3.5 m-20 -66.59 -45.9 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.64 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.24 -36.76 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.45 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 27.7 ttm180 -58.79 -44.88 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.033 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.9 -45.59 93.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.306 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 29' ' ' ASP . 27.0 mt -62.29 -41.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.009 0.433 . . . . 0.0 110.172 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.514 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.78 -31.73 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.425 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -64.64 -30.76 71.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.17 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.017 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.625 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 23.9 mt -65.83 -38.15 88.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.668 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.12 -25.77 42.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' B' ' 40' ' ' THR . 29.2 mmmt -76.72 -58.48 3.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.757 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 39' ' ' LYS . 13.5 t 179.77 37.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.558 0.694 . . . . 0.0 111.684 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.696 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -62.54 -28.62 69.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.391 0.615 . . . . 0.0 110.381 174.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.979 HD13 ' HA ' ' B' ' 56' ' ' CYS . 13.1 mt -99.37 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.41 ' H ' HG22 ' B' ' 42' ' ' ILE . 37.4 tt0 -103.69 148.29 26.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.499 0.666 . . . . 0.0 111.03 -173.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.531 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 36.2 mm -87.22 114.31 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.065 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 53' ' ' HIS . 4.9 m -89.81 106.3 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 33.7 p -101.67 140.79 35.49 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.629 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.86 140.86 29.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.3 -58.42 5.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.304 0.574 . . . . 0.0 110.972 -174.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -132.0 105.58 7.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.506 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.29 -46.68 0.29 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.785 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.4 159.65 8.87 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.712 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -92.57 153.02 19.29 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.437 ' HB2' HG23 ' B' ' 45' ' ' VAL . 93.3 m-70 -135.58 142.54 45.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.603 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.968 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 49.7 t-20 -105.18 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -108.5 100.81 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.145 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.979 ' HA ' HD13 ' B' ' 42' ' ' ILE . 58.3 m -59.26 104.23 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.474 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.46 -1.06 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.184 -170.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.476 HD22 HG23 ' B' ' 80' ' ' VAL . 6.3 mp -115.72 -57.31 2.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.011 -0.431 . . . . 0.0 111.859 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 7.5 p -82.89 -5.46 59.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.79 64.16 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.833 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.437 ' H ' ' HB2' ' B' ' 56' ' ' CYS . . . -108.41 160.11 16.14 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.707 -0.29 . . . . 0.0 110.594 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -124.55 129.27 50.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 0.0 110.411 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.968 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 58.8 t -100.57 130.46 25.53 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.244 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 20.8 Cg_exo -67.86 5.34 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.591 2.861 . . . . 0.0 113.563 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.648 ' H ' HG12 ' B' ' 63' ' ' VAL . 49.0 t90 75.51 147.85 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.49 0.716 . . . . 0.0 111.287 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp 63.41 24.99 14.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.227 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -152.56 148.19 27.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.772 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -59.37 -32.22 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.571 0.544 . . . . 0.0 112.231 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.749 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.27 122.61 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.55 ' HA ' HG21 ' B' ' 81' ' ' VAL . 25.1 t70 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 111.388 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -92.12 -6.49 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.834 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.539 ' O ' HG22 ' B' ' 81' ' ' VAL . 27.3 p -88.1 152.7 50.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.906 -176.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 36' ' ' ALA . 39.7 Cg_exo -61.73 -28.81 82.52 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.84 2.36 . . . . 0.0 112.738 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.476 HG23 HD22 ' B' ' 58' ' ' LEU . 60.8 t -59.99 -46.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.549 -176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.55 HG21 ' HA ' ' B' ' 76' ' ' ASP . 34.6 m -68.01 -36.94 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.33 -176.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.453 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.9 mm -54.68 -50.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.232 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.29 94.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -61.6 -36.33 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.605 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -73.65 -34.45 64.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.859 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.9 mt -74.95 -40.28 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.514 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.5 pp -71.09 -11.4 60.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.77 0.319 . . . . 0.0 111.519 -177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -81.42 66.19 6.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 0.0 110.305 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.478 ' OH ' ' HA ' ' B' ' 86' ' ' ILE . 52.0 t80 -90.63 84.44 5.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.758 0.789 . . . . 0.0 112.017 -174.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 87.5 m-85 60.73 -178.13 0.11 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.691 -1.595 . . . . 0.0 113.942 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 64.98 -76.04 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.615 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.53 3.91 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 26' ' ' ALA . 95.8 mmm -87.67 120.19 28.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 111.48 -175.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -146.39 134.83 21.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.725 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 63.62 -81.12 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.401 0.68 . . . . 0.0 112.431 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.2 m -75.72 2.13 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.566 0.698 . . . . 0.0 110.713 -174.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 22' ' ' MET . . . -56.86 -36.68 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.683 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.45 71.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 14.6 mm-40 -61.26 -52.12 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.285 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.461 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 16.8 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 0.0 111.636 -174.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.03 -46.56 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.606 0.241 . . . . 0.0 111.225 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -64.89 -27.4 68.84 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 15.1 ttmm -52.19 -48.95 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.516 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.584 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 22.8 mt -65.16 -45.29 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.111 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.8 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.876 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 m -64.09 -42.29 96.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB1' HD11 ' B' ' 58' ' ' LEU . . . -63.23 -45.02 93.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.42 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.69 -27.23 61.96 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 tp -72.02 -26.24 62.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.375 0.607 . . . . 0.0 110.424 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -91.45 -10.96 39.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.956 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.513 ' O ' HG12 ' A' ' 42' ' ' ILE . 32.0 p -131.34 -100.21 0.3 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.31 -66.07 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.157 0.983 . . . . 0.0 112.906 -176.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.655 HD12 HD21 ' A' ' 54' ' ' ASN . 13.0 pt -71.49 175.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.922 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.3 145.29 24.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.799 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.2 pt -114.87 112.37 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 121.12 0.486 . . . . 0.0 111.51 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG22 ' NE2' ' A' ' 55' ' ' GLN . 23.3 m . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.655 HD21 HD12 ' A' ' 42' ' ' ILE . 50.6 t-20 -93.94 115.53 27.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.566 ' NE2' HG22 ' A' ' 45' ' ' VAL . 3.0 mp0 -96.71 112.41 24.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.81 0.338 . . . . 0.0 111.696 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.442 ' HA ' HG22 ' A' ' 42' ' ' ILE . 84.7 m -79.89 96.4 6.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 171.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -48.01 -52.02 21.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.852 -170.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.667 HD23 ' HD2' ' A' ' 79' ' ' PRO . 8.5 mp -63.04 -47.14 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.7 p -95.29 -2.59 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.618 -174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.52 31.52 81.03 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.97 51.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.699 0.285 . . . . 0.0 110.575 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 p -111.89 130.48 55.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.515 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.2 p -130.48 138.29 32.71 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.919 -177.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.48 144.85 39.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.566 2.177 . . . . 0.0 112.468 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -62.23 -8.68 6.09 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.394 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.84 -17.08 61.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.641 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -101.35 175.32 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 111.037 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 m -79.65 -21.3 44.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.133 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.515 ' HA2' HG11 ' A' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.577 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.1 m80 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.34 153.64 42.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.88 -13.9 58.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.21 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.95 0.66 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.354 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.574 ' O ' HG22 ' A' ' 81' ' ' VAL . 63.1 m -91.98 114.64 62.7 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.293 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.667 ' HD2' HD23 ' A' ' 58' ' ' LEU . 19.1 Cg_endo -59.45 -3.69 2.03 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.261 2.641 . . . . 0.0 114.195 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.541 HG23 HD22 ' A' ' 58' ' ' LEU . 77.5 t -63.39 -31.92 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.247 176.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 78' ' ' CYS . 27.9 m -63.4 -36.59 76.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.08 0.467 . . . . 0.0 110.506 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.6 mm -67.33 -45.8 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.15 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.81 81.3 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.246 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.73 -46.72 84.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.104 0.478 . . . . 0.0 110.671 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.83 ' HB3' ' HD3' ' A' ' 90' ' ' ARG . 40.4 mt-30 -62.35 -30.51 71.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' ILE . 62.5 mt -74.97 -49.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.233 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.87 -14.96 60.28 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -99.38 9.44 43.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 110.666 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.1 p 48.56 74.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.348 0.659 . . . . 0.0 112.409 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.83 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 29.7 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.239 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.44 ' HD2' ' H ' ' B' ' 20' ' ' GLN . 51.8 t80 . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' B' ' 22' ' ' MET . 18.5 m-85 -54.18 -40.43 67.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.44 ' H ' ' HD2' ' B' ' 18' ' ' TYR . 24.4 tt0 -72.95 116.3 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.86 -68.68 1.72 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -167.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.543 ' HB2' ' O ' ' B' ' 19' ' ' PHE . 9.0 ttt 64.83 -75.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.935 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 34.7 p 45.56 -87.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -126.14 -54.94 1.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -167.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -61.87 -15.4 42.14 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.64 67.52 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.004 -0.435 . . . . 0.0 111.259 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.15 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 109.4 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.778 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 33.9 mt-10 -78.03 -31.49 50.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.399 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.22 -52.66 63.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.27 0.557 . . . . 0.0 109.964 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -45.81 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.753 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.778 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 27.6 ptt180 -66.24 -29.15 69.34 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.203 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -61.58 -40.13 93.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.047 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 79' ' ' PRO . 46.8 mt -77.55 -41.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.083 0.468 . . . . 0.0 110.249 177.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.661 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.36 -31.25 65.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 97.1 m -54.64 -30.55 55.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.43 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.35 80.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.5 pp -73.87 -24.59 59.75 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.62 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.763 HD11 HD22 ' B' ' 87' ' ' LEU . 95.2 mt -70.46 -30.94 67.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.347 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' B' ' 39' ' ' LYS . 39.8 mtpt -74.02 -57.9 3.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 176.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -165.59 89.91 0.46 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 122.263 1.03 . . . . 0.0 112.146 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -114.74 -4.67 12.7 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.617 166.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -71.1 141.08 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.924 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.688 ' HB2' ' HE3' ' B' ' 57' ' ' LYS . 19.4 tt0 -102.46 137.49 40.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.445 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' B' ' 54' ' ' ASN . 26.5 mm -124.58 116.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.286 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' B' ' 53' ' ' HIS . 7.1 m -105.58 105.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.784 169.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.654 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.6 m -85.61 125.29 33.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.088 -174.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.33 152.44 34.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.731 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -38.09 53.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.083 0.468 . . . . 0.0 110.797 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -104.69 -44.93 4.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.28 -9.34 85.75 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.502 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.427 ' O ' ' HD2' ' B' ' 53' ' ' HIS . . . 81.79 170.39 44.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.062 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.654 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -66.45 135.95 55.0 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 171.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.526 ' HB2' HG23 ' B' ' 45' ' ' VAL . 14.7 m-70 -114.4 124.87 53.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.372 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' B' ' 44' ' ' ILE . 37.3 t-20 -86.94 111.08 20.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.572 ' HA ' ' HB2' ' B' ' 62' ' ' SER . 19.0 mt-30 -127.61 142.58 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.22 0.533 . . . . 0.0 111.374 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' B' ' 59' ' ' CYS . 37.5 t -102.66 116.77 33.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.688 ' HE3' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -76.59 -1.08 25.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.398 -175.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.507 HD11 ' HB1' ' A' ' 36' ' ' ALA . 12.2 tp -80.96 -39.55 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' B' ' 56' ' ' CYS . 7.5 p -101.32 -41.58 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.97 1.66 56.07 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.634 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.6 134.43 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.572 ' HB2' ' HA ' ' B' ' 55' ' ' GLN . 65.0 m -153.54 -166.93 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.469 HG11 ' HA2' ' B' ' 69' ' ' GLY . 15.0 p -110.77 145.2 31.86 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.139 -164.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' B' ' 63' ' ' VAL . 10.2 Cg_endo -54.38 151.03 31.34 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.165 2.577 . . . . 0.0 113.493 176.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 38.5 t-105 -66.22 163.06 18.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.301 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 92.1 mt 78.52 -19.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.093 0.957 . . . . 0.0 111.897 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -93.87 164.42 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -56.4 113.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.965 0.412 . . . . 0.0 110.504 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.469 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.544 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.669 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 135.35 34.22 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.407 ' HA ' HG21 ' B' ' 81' ' ' VAL . 2.2 m-20 -76.25 -5.06 45.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.451 0.643 . . . . 0.0 109.739 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.66 -16.21 58.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.871 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 76.4 m -66.96 135.4 94.1 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.747 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.584 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.0 Cg_exo -56.92 -18.42 27.76 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.337 2.691 . . . . 0.0 113.457 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.4 HG23 HD23 ' B' ' 58' ' ' LEU . 49.3 t -56.08 -43.88 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.013 0.435 . . . . 0.0 110.748 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' B' ' 76' ' ' ASP . 47.9 t -69.49 -42.35 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.625 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 33' ' ' ILE . 46.3 mm -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.942 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.95 92.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -58.9 -47.41 85.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.505 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.36 -36.42 66.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.137 0.494 . . . . 0.0 110.597 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.478 ' HA ' ' OH ' ' A' ' 18' ' ' TYR . 72.6 mt -75.07 -54.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.917 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.763 HD22 HD11 ' B' ' 38' ' ' LEU . 4.5 pp -72.54 -17.1 61.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -88.37 -21.0 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.539 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.279 0.561 . . . . 0.0 110.363 178.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.702 ' HB3' ' HA ' ' A' ' 22' ' ' MET . 91.7 mt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.871 0.367 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -97.44 -175.76 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.752 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.692 ' HD2' ' HB3' ' B' ' 22' ' ' MET . 64.0 m-85 -55.75 158.49 3.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.348 0.259 . . . . 0.0 111.284 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? 79.91 -35.52 0.14 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.921 0.888 . . . . 0.0 110.959 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 45.21 1.02 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.685 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.702 ' HA ' ' HB3' ' A' ' 17' ' ' LEU . 12.9 ptp -87.63 -24.31 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p 50.01 -95.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.43 -64.5 1.29 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -53.71 -32.91 53.78 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -168.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 22' ' ' MET . . . -60.05 -25.17 65.14 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -63.86 -27.45 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.013 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -84.53 -38.62 19.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -62.52 -45.9 90.88 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.158 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -30.35 42.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 25.5 ttm-85 -63.67 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.831 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -63.41 -49.59 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.993 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' B' ' 79' ' ' PRO . 32.7 pt -65.27 -33.35 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.215 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.08 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 111.218 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 m -76.62 -30.34 56.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -52.71 -44.44 66.33 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 38' ' ' LEU . 4.0 pp -69.12 -33.83 74.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 111.389 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 37' ' ' LEU . 39.1 tp -78.91 -26.47 43.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.543 0.687 . . . . 0.0 110.202 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HG3' HG23 ' A' ' 40' ' ' THR . 47.1 tptt -74.61 -36.51 62.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.728 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 ' HG3' ' A' ' 39' ' ' LYS . 7.3 p -133.3 -56.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.15 65.78 3.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.313 0.577 . . . . 0.0 111.664 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 56' ' ' CYS . 11.1 tp -146.93 154.26 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.729 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.42 141.87 36.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.305 0.574 . . . . 0.0 110.674 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.47 HG22 ' HA ' ' A' ' 54' ' ' ASN . 1.3 pp -133.04 134.18 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.713 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.318 -0.783 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 176.133 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.708 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 28.0 t-20 -88.62 137.47 32.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.894 -176.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.44 110.47 13.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.8 ' HA ' HD11 ' A' ' 42' ' ' ILE . 77.5 m -68.05 111.66 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -79.25 38.25 0.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.234 -162.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -157.27 13.38 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 56' ' ' CYS . 23.8 p -152.17 -31.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.89 2.83 68.82 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.177 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.7 137.6 38.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.014 0.407 . . . . 0.0 110.232 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.3 p -100.11 123.93 44.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.45 0.643 . . . . 0.0 110.246 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 85.2 t -106.55 143.92 27.98 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.55 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 69' ' ' GLY . 70.6 Cg_exo -56.34 7.5 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.999 3.133 . . . . 0.0 114.468 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.708 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 0.0 OUTLIER 85.62 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.748 1.219 . . . . 0.0 112.171 173.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.7 tp -76.94 79.27 3.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.717 0.294 . . . . 0.0 111.012 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 61.42 -88.21 0.02 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.131 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.2 m -103.19 -20.93 13.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' HA3' ' HD2' ' A' ' 64' ' ' PRO . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -171.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 p80 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.37 98.77 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 168.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.75 -29.7 70.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.98 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -80.16 -23.42 41.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.798 0.332 . . . . 0.0 110.956 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 60.1 m -80.45 118.61 73.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -176.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 32.7 Cg_exo -60.33 -23.67 75.21 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.341 2.694 . . . . 0.0 113.222 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.78 -34.81 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.658 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.34 -36.56 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.53 -47.64 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.937 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.15 -42.99 70.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.814 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' HA ' ' HG ' ' A' ' 87' ' ' LEU . 89.2 mttt -62.48 -44.73 95.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.839 0.352 . . . . 0.0 110.731 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.28 -40.41 86.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.532 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.01 -50.86 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.438 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 83' ' ' ALA . 4.0 pp -69.84 -16.97 63.35 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 t -88.05 -36.52 16.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m 65.91 23.1 11.31 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.703 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 36.1 mmt180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 t80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 64.17 17.85 10.92 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.712 0.632 . . . . 0.0 110.854 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -112.83 -36.32 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.716 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -164.43 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.975 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.692 ' HB3' ' HD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER 77.59 132.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.362 0.665 . . . . 0.0 111.521 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -118.29 -170.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -44.19 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.288 0.635 . . . . 0.0 112.082 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.9 m -66.16 -32.24 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.051 0.453 . . . . 0.0 111.469 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.99 -22.69 67.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.201 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.24 -29.98 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.299 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.469 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 36.2 tt0 -78.44 -36.85 44.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.73 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.48 -53.63 45.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.52 -34.69 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.397 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.469 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 12.5 ptm180 -73.58 -30.17 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.729 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.22 -45.24 81.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.615 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.06 -33.96 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.83 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -68.39 -34.84 76.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.113 0.482 . . . . 0.0 110.845 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 27.0 m -76.28 -30.46 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.5 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.741 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.4 pp -67.81 -30.57 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.666 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 33.8 tp -80.18 -26.0 39.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 0.0 110.848 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.73 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.1 OUTLIER -56.45 -38.05 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.266 -178.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.711 HG23 ' H ' ' B' ' 41' ' ' ALA . 2.0 t -113.41 -71.46 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.326 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.711 ' H ' HG23 ' B' ' 40' ' ' THR . . . 66.87 -43.57 0.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.595 HG22 ' ND2' ' B' ' 54' ' ' ASN . 7.8 mm -122.42 101.14 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -170.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.49 -178.87 3.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.28 142.42 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.596 HG13 ' HE2' ' B' ' 57' ' ' LYS . 7.7 m -111.24 132.29 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -88.15 135.91 33.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.115 0.483 . . . . 0.0 112.112 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.25 152.98 41.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.404 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.89 -36.86 30.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.416 . . . . 0.0 110.099 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.21 -46.77 66.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.12 92.97 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.47 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.19 -175.21 44.24 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.49 21.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.119 0.485 . . . . 0.0 111.43 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.444 ' HB2' HG23 ' B' ' 45' ' ' VAL . 81.1 m-70 -106.52 112.19 25.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.402 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.595 ' ND2' HG22 ' B' ' 42' ' ' ILE . 2.2 t-20 -95.98 105.72 17.79 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -156.36 157.33 35.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.935 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.74 123.05 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.598 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 33.1 mmtp -62.85 -11.72 20.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -171.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.456 HD21 ' HB1' ' A' ' 36' ' ' ALA . 5.9 mp -82.69 -105.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 83.8 m -151.6 12.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' B' ' 74' ' ' HIS . . . -87.86 -12.84 65.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.742 -0.742 . . . . 0.0 114.003 -170.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.18 130.77 8.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.601 0.7 . . . . 0.0 111.967 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 38.2 t -139.56 123.56 17.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.61 138.5 13.48 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.234 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.36 140.8 71.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.19 1.926 . . . . 0.0 111.292 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -69.9 -11.3 60.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.268 0.556 . . . . 0.0 110.961 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 22.58 5.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -144.79 162.91 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.013 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -78.16 147.19 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.784 0.326 . . . . 0.0 110.404 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' B' ' 60' ' ' GLY . 81.1 m-70 . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.425 ' H ' ' HA2' ' B' ' 60' ' ' GLY . . . -66.52 144.53 56.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.707 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -80.11 -6.71 58.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.961 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.89 -12.68 60.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.141 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.466 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 68.4 m -99.0 145.35 29.82 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.876 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 16.6 Cg_exo -68.4 3.0 2.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.472 2.781 . . . . 0.0 112.7 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 44.9 t -60.54 -31.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.254 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.5 -46.19 47.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.721 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.3 -43.78 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' B' ' 87' ' ' LEU . . . -57.95 -44.25 86.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 8.2 mtpm? -52.97 -52.61 57.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.393 0.616 . . . . 0.0 110.845 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.19 -39.98 95.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.796 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.26 -52.14 50.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 83' ' ' ALA . 4.5 pp -70.69 -16.75 62.82 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 71.3 m -70.8 -50.41 35.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.471 0.625 0 C-N-CA 123.868 0.867 . . . . 0.0 111.8 -175.326 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.1 166.04 16.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.983 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 27' ' ' ALA . 97.2 m-85 -64.16 -19.12 65.08 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.841 -176.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -82.9 95.31 7.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.83 -95.73 0.58 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.518 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 15.4 mmt 68.5 -36.4 0.32 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' ' 22' ' ' MET . 87.7 m 74.2 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.259 0.35 . . . . 0.0 111.627 173.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -169.57 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.119 0.485 . . . . 0.0 110.525 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 m -67.01 -6.12 15.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.443 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 22' ' ' MET . . . -55.67 -36.37 67.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.346 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -74.15 -28.3 61.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.041 0.448 . . . . 0.0 110.785 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -56.28 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.505 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 2.3 m-20 -65.66 -23.78 66.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.217 -173.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.613 HG11 HG21 ' A' ' 86' ' ' ILE . 74.5 t -69.47 -44.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.989 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 26.7 mtm180 -66.39 -38.46 87.57 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 79.5 tttt -52.93 -49.67 65.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.713 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.916 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 25.4 pt -72.79 -33.62 44.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.693 0.283 . . . . 0.0 111.357 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.658 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -67.44 -32.45 73.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -57.35 -30.61 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.374 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -61.92 -45.11 95.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.675 0.274 . . . . 0.0 111.188 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.5 pp -78.57 -23.41 46.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.491 HD12 HD12 ' A' ' 37' ' ' LEU . 7.9 mp -73.63 -26.94 61.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.757 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -87.97 -41.26 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.489 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 p -133.95 -89.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.084 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 64.06 -65.41 0.13 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.864 0.866 . . . . 0.0 112.286 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.617 HG22 HD21 ' A' ' 54' ' ' ASN . 57.7 mt -54.7 122.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 -173.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -104.16 164.89 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.287 0.565 . . . . 0.0 111.045 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.26 116.17 46.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.571 0.701 . . . . 0.0 109.668 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.491 -178.083 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.617 HD21 HG22 ' A' ' 42' ' ' ILE . 2.6 t-20 -95.45 128.87 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.504 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -120.94 154.57 35.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.213 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 25.7 p -103.1 163.49 12.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 110.633 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' B' ' 40' ' ' THR . 37.0 mttp -95.55 84.63 4.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.205 0.526 . . . . 0.0 110.187 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 7.7 mp 74.0 106.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.812 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.651 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 44.3 t 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.123 -1.398 . . . . 0.0 108.588 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.91 51.19 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.935 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.26 158.57 39.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -145.09 157.01 44.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.876 0.37 . . . . 0.0 110.537 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 9.7 p -150.79 142.59 15.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.334 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.58 132.43 45.47 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.204 1.936 . . . . 0.0 111.722 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -65.96 -8.0 20.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.85 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.76 -27.62 66.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.463 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -98.47 -170.62 1.98 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.653 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.2 t -92.01 172.79 8.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.595 ' HA3' HD13 ' A' ' 42' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.901 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.607 -175.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.708 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.47 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.959 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -79.33 -14.94 58.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.384 0.612 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.19 -16.63 64.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.115 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 59' ' ' CYS . 8.2 m -90.18 125.73 59.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.646 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 35.2 Cg_exo -60.87 -15.18 36.71 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.444 2.763 . . . . 0.0 113.183 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.37 -29.45 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.36 -30.69 50.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.015 0.435 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.3 mm -61.8 -46.11 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 176.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.22 78.08 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.794 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -68.3 -28.98 67.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.915 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.96 -39.55 72.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.592 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.613 HG21 HG11 ' A' ' 30' ' ' VAL . 76.7 mt -64.49 -48.12 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.257 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.77 -20.48 64.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 111.141 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -82.84 -37.97 23.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t 67.98 -173.18 0.19 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.785 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.007 -176.361 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.01 153.58 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 59.35 24.58 13.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.441 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.11 52.66 0.72 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.415 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 64.7 mtt -107.85 125.55 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.391 0.615 . . . . 0.0 111.742 -170.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -154.52 -40.33 0.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.499 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.96 -57.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -57.25 -53.76 54.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -25.52 33.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -69.25 -28.65 66.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.982 0.42 . . . . 0.0 110.904 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.2 -42.21 23.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.432 -176.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -61.93 -45.77 92.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.291 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.84 -32.9 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.751 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -65.89 -30.98 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -49.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.713 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.3 pt -72.92 -30.48 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.957 0.408 . . . . 0.0 111.065 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -69.15 -32.33 71.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.044 0.45 . . . . 0.0 111.231 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.452 ' HA ' HD23 ' B' ' 38' ' ' LEU . 83.7 m -60.11 -28.7 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.764 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.7 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.588 HD13 HG13 ' B' ' 80' ' ' VAL . 4.6 pp -67.76 -23.96 65.29 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.389 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' B' ' 35' ' ' THR . 3.5 mm? -65.06 -26.09 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.75 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -91.84 -31.76 15.59 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.853 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.449 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 2.2 t -158.46 91.57 1.09 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.162 0.982 . . . . 0.0 111.323 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.7 8.96 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.471 170.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.442 HG21 ' ND2' ' B' ' 54' ' ' ASN . 69.7 mt -126.81 144.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.619 -174.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' B' ' 57' ' ' LYS . 4.5 tp10 -104.66 145.53 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -112.31 111.56 36.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.519 0.676 . . . . 0.0 110.765 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' B' ' 53' ' ' HIS . 6.3 m -106.61 106.29 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.929 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 36.1 t -92.66 141.85 28.02 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.03 178.97 5.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.894 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -72.55 -43.38 63.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.035 -176.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -130.59 -22.76 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.964 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.84 -101.97 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.523 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.05 -168.61 25.26 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.987 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -79.05 158.49 27.85 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.807 0.337 . . . . 0.0 111.041 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.448 ' HB2' HG23 ' B' ' 45' ' ' VAL . 86.8 m-70 -140.12 137.59 34.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.453 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 18.3 t-20 -90.58 117.18 29.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.876 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -123.75 127.39 48.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 111.673 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.84 98.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' B' ' 57' ' ' LYS . 2.0 tmtp? -69.48 -21.48 63.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.194 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' B' ' 78' ' ' CYS . 7.5 tp -85.57 8.17 20.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.855 -174.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 48.4 t -153.45 -42.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.131 0.491 . . . . 0.0 110.887 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.17 61.29 0.7 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.406 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 130.68 44.4 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -101.94 135.88 42.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.075 0.464 . . . . 0.0 110.773 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 7.2 p -138.56 137.82 20.96 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.721 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.16 131.96 32.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.794 2.329 . . . . 0.0 112.88 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 7.8 p90 -73.36 164.68 26.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.213 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 70.85 20.25 5.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -121.52 162.01 21.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -74.62 -25.98 59.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.828 176.197 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.723 0.296 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.21 115.18 22.3 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.542 ' HA ' HG21 ' B' ' 81' ' ' VAL . 53.8 m-20 -72.51 -8.83 57.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.096 0.474 . . . . 0.0 110.803 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.25 -22.35 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.984 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.588 ' HB3' HD23 ' B' ' 58' ' ' LEU . 80.6 m -64.76 127.22 92.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -177.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.916 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -52.39 -23.94 20.12 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 123.751 2.967 . . . . 0.0 113.734 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.588 HG13 HD13 ' B' ' 37' ' ' LEU . 76.7 t -61.32 -34.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.054 0.454 . . . . 0.0 110.398 177.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' B' ' 76' ' ' ASP . 33.5 t -71.21 -46.69 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.055 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.467 HG22 ' HA ' ' B' ' 79' ' ' PRO . 9.6 tp -68.7 -38.73 79.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 110.371 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.87 88.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.405 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.533 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 21.9 ptmt -67.6 -27.87 67.28 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.04 -36.4 72.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.3 mt -70.67 -44.84 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.085 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -76.17 -8.49 57.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.799 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -67.72 107.59 2.63 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.318 -0.785 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.311 -176.806 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' HB ' ' A' ' 23' ' ' THR . 73.8 mt . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.01 -172.08 2.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.803 0.335 . . . . 0.0 110.7 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' B' ' 27' ' ' ALA . 66.1 m-85 -75.55 174.71 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.43 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 8.2 tt0 73.6 -52.6 0.7 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.969 0.793 . . . . 0.0 110.455 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.66 67.3 0.33 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' B' ' 22' ' ' MET . 65.5 mtp -86.03 -168.83 2.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.096 0.474 . . . . 0.0 110.561 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.504 ' HB ' HD12 ' A' ' 17' ' ' LEU . 12.6 t -152.37 -173.74 4.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.7 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.34 -52.57 25.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -75.5 -8.29 56.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.294 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -31.38 71.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.097 0.475 . . . . 0.0 110.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.04 -31.1 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.342 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.529 ' HG3' HH21 ' A' ' 31' ' ' ARG . 38.4 tt0 -75.07 -34.9 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.67 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 1.2 m-20 -60.6 -42.79 97.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.651 0.262 . . . . 0.0 110.738 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 HD13 ' A' ' 86' ' ' ILE . 16.7 t -74.6 -31.19 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.242 0.544 . . . . 0.0 109.895 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 52.3 ttp180 -63.02 -30.91 71.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.439 176.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.527 ' NZ ' ' HA ' ' A' ' 29' ' ' ASP . 28.5 mtmm -57.91 -47.93 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.759 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 30' ' ' VAL . 37.5 pt -68.15 -35.55 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.841 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -66.21 -47.15 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.713 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.9 m -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -66.3 -45.66 79.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.617 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.3 pp -70.51 -28.61 65.09 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.909 -175.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.2 mm? -69.62 -34.58 74.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 110.26 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.7 ' HG3' HG22 ' A' ' 40' ' ' THR . 48.3 tptt -71.51 -57.13 4.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.035 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.7 HG22 ' HG3' ' A' ' 39' ' ' LYS . 2.3 t -162.08 83.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.892 0.853 . . . . 0.0 112.664 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . -115.52 5.61 14.47 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.387 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.458 HG12 ' HB3' ' A' ' 56' ' ' CYS . 39.8 mt -106.83 130.92 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.779 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.0 155.73 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.378 . . . . 0.0 110.346 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.656 HG23 HD22 ' A' ' 54' ' ' ASN . 1.5 pp -98.13 132.08 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.338 0.59 . . . . 0.0 111.185 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.467 174.2 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.61 0.243 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.656 HD22 HG23 ' A' ' 44' ' ' ILE . 28.5 t-20 -109.24 106.34 16.15 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 62' ' ' SER . 23.1 pt20 -139.56 132.65 29.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.921 -173.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' HG12 ' A' ' 42' ' ' ILE . 7.4 p -84.93 117.89 24.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.155 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -78.43 -14.29 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.002 0.43 . . . . 0.0 110.742 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.582 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 10.3 tp -82.08 8.57 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.7 t -148.19 -32.85 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.25 2.22 62.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.034 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 130.0 34.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 55' ' ' GLN . 28.4 m -108.33 124.16 49.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.477 . . . . 0.0 110.749 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.773 HG12 ' H ' ' A' ' 65' ' ' TRP . 94.4 t -103.54 132.34 21.17 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.857 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 63' ' ' VAL . 20.6 Cg_exo -67.2 -4.04 10.94 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.207 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.773 ' H ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER 72.45 -37.56 0.39 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.918 0.887 . . . . 0.0 112.539 174.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.26 2.16 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.85 171.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' HB3' ' HG2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -136.24 151.85 50.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -50.03 -33.08 17.03 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.737 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -178.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.4 m80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.5 129.73 41.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -80.79 -14.84 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.728 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.09 -38.61 79.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.191 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.3 m -80.73 153.38 73.02 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.949 -174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.767 ' HB2' HG23 ' B' ' 33' ' ' ILE . 40.1 Cg_endo -67.87 10.11 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.882 2.388 . . . . 0.0 112.619 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.13 -29.85 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.537 . . . . 0.0 109.676 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 14.2 m -54.65 -37.68 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.149 174.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.7 mm -70.19 -47.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.228 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -55.11 -41.7 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.793 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 11.3 ptmm? -67.68 -29.44 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.055 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 81' ' ' VAL . 6.1 mm-40 -76.37 -34.51 58.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.916 0.388 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 82' ' ' ILE . 37.7 mt -63.03 -41.0 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.966 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 64.5 tp -60.72 -30.45 69.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.4 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -84.27 46.19 1.19 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.858 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -60.55 116.45 4.35 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 . . . . . 0 N--CA 1.467 0.388 0 O-C-N 123.746 0.654 . . . . 0.0 109.866 -177.048 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 p90 . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.526 ' HA ' ' HG2' ' B' ' 22' ' ' MET . 90.0 m-85 -78.22 -170.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.559 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 19.5 tm0? 78.09 -27.59 0.17 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.961 0.788 . . . . 0.0 110.329 -176.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' B' ' 19' ' ' PHE . . . -123.28 26.33 6.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.815 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' B' ' 19' ' ' PHE . 18.2 mmt -91.83 140.11 30.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.069 0.461 . . . . 0.0 110.939 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.0 m -123.92 -59.93 1.47 Allowed 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.758 -171.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -105.24 -83.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -167.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 -10.06 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -164.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.47 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.687 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.526 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -61.88 -29.62 70.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.72 -36.81 19.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.59 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.21 -41.93 99.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.972 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 33' ' ' ILE . 64.5 t -69.03 -41.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.74 0.305 . . . . 0.0 111.454 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -69.95 -27.39 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.134 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -56.62 -55.86 28.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.767 HG23 ' HB2' ' A' ' 79' ' ' PRO . 1.3 pt -66.06 -42.21 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.072 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.97 74.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.379 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.7 m -64.68 -41.24 96.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -61.36 -43.4 98.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.68 -177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.72 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 3.4 pp -73.87 -24.92 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.66 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' B' ' 37' ' ' LEU . 1.8 mm? -79.1 -42.41 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.343 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.642 ' HG3' HG22 ' B' ' 40' ' ' THR . 19.8 ptmt -80.84 -44.52 18.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -167.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.642 HG22 ' HG3' ' B' ' 39' ' ' LYS . 13.6 t -156.1 13.95 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.152 -170.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.72 ' CB ' ' HA ' ' B' ' 37' ' ' LEU . . . -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.139 0.495 . . . . 0.0 110.696 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.672 HD13 ' HA ' ' B' ' 56' ' ' CYS . 8.4 mt -88.65 -122.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.876 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -158.71 149.79 20.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.5 0.667 . . . . 0.0 110.871 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 21.3 mm -87.77 126.84 41.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.737 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.88 106.89 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 170.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.573 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 16.9 p -95.23 141.94 28.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.375 -174.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 49' ' ' ASP . 39.8 mt-10 -76.87 98.58 4.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.693 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.41 -78.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.145 0.903 . . . . 0.0 111.693 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' B' ' 47' ' ' GLU . 20.9 t70 -142.99 -28.93 0.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.609 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -78.4 0.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.155 -0.545 . . . . 0.0 114.226 -170.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.75 165.71 28.52 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.855 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -135.39 133.37 38.63 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.654 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -121.41 132.75 54.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.697 0.284 . . . . 0.0 110.823 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.469 ' HB3' HG13 ' B' ' 63' ' ' VAL . 43.3 t30 -96.26 113.23 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -106.59 114.9 29.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.672 ' HA ' HD13 ' B' ' 42' ' ' ILE . 49.0 t -80.29 107.86 13.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.571 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.1 OUTLIER -68.54 -11.28 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 179.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -88.08 0.94 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.501 -173.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . 0.498 ' HA ' ' SG ' ' B' ' 78' ' ' CYS . 20.9 p -159.7 -31.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.31 18.05 25.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.963 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.9 163.91 12.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.558 0.218 . . . . 0.0 110.861 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' B' ' 54' ' ' ASN . 7.5 p -135.83 135.98 22.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.907 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.49 150.16 61.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.728 2.285 . . . . 0.0 112.441 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.486 ' HE3' ' H ' ' B' ' 65' ' ' TRP . 3.4 p90 -57.27 -18.13 15.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.87 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.03 -23.17 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.72 0.295 . . . . 0.0 111.413 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.99 170.3 9.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.415 HG23 ' H ' ' B' ' 69' ' ' GLY . 0.6 OUTLIER -113.54 -68.86 0.9 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -172.341 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.415 ' H ' HG23 ' B' ' 68' ' ' THR . . . . . . . . 0 C--N 1.334 0.45 0 C-N-CA 119.033 -1.556 . . . . 0.0 114.862 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -76.7 142.72 40.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.097 0.475 . . . . 0.0 111.972 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.73 -19.8 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.913 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.07 -21.11 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.042 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.523 ' O ' HG22 ' B' ' 81' ' ' VAL . 57.3 m -87.49 127.68 57.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.635 -175.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 27.1 Cg_exo -64.03 -3.79 6.53 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.179 2.586 . . . . 0.0 113.243 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.02 -38.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 78' ' ' CYS . 18.5 m -62.08 -37.42 78.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.999 0.428 . . . . 0.0 111.06 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.473 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.2 mm -66.98 -51.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 33' ' ' ILE . . . -57.67 -45.66 85.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.086 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.26 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.47 -37.05 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.596 0.236 . . . . 0.0 110.948 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.7 mt -61.58 -43.63 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.924 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -76.5 -13.19 60.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.622 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -82.28 56.0 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.362 0.601 . . . . 0.0 110.454 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.09 179.217 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.723 ' HB2' ' H ' ' A' ' 22' ' ' MET . 5.6 mp . . . . . 0 C--O 1.234 0.244 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' A' ' 22' ' ' MET . 55.1 t80 64.85 171.54 0.2 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.262 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HE2' HD13 ' B' ' 86' ' ' ILE . 80.5 m-85 -78.49 27.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.03 -0.419 . . . . 0.0 112.067 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.746 ' HG3' ' HA ' ' B' ' 23' ' ' THR . 24.2 tt0 -121.13 12.61 11.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -108.72 0.27 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.465 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.723 ' H ' ' HB2' ' A' ' 17' ' ' LEU . 20.9 mmt 68.47 131.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.807 0.813 . . . . 0.0 111.847 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -71.87 0.35 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.196 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -139.78 -10.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.841 0.829 . . . . 0.0 108.975 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.487 ' HA ' ' CG ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -63.52 -12.77 34.96 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.729 -173.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.2 94.39 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.07 58.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 25' ' ' THR . 6.4 mm-40 -64.67 -50.11 68.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.414 -174.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 26.8 t70 -83.97 -40.27 18.69 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.65 -30.61 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.829 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.6 ttp-105 -56.7 -36.55 69.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 28.1 ttmt -61.07 -45.73 93.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.59 -41.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.287 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.18 -43.98 93.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.884 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.1 m -62.77 -31.7 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.92 18.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.052 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -64.11 -24.39 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -175.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.21 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.992 0.425 . . . . 0.0 110.749 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.1 -55.86 3.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.79 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 57' ' ' LYS . 11.6 p -99.07 50.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HB1' ' B' ' 41' ' ' ALA . . . -139.74 7.52 2.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.639 0.733 . . . . 0.0 109.482 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 55' ' ' GLN . 3.0 mp -115.63 136.82 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.128 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.27 143.2 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.22 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' A' ' 54' ' ' ASN . 17.5 pt -102.43 112.59 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.063 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.319 -0.745 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.149 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.093 0.473 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.478 ' HA ' HG22 ' A' ' 44' ' ' ILE . 42.8 t-20 -81.18 104.59 11.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.85 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 26.8 tt0 -128.12 123.56 34.78 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.431 ' HA ' HG13 ' A' ' 42' ' ' ILE . 3.9 p -65.04 119.42 10.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.297 170.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' B' ' 40' ' ' THR . 73.9 tttt -77.38 -6.94 55.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.45 -167.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.501 HD11 ' HB1' ' B' ' 36' ' ' ALA . 12.7 tp -75.73 -55.22 5.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.146 -176.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -102.63 -24.67 13.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.467 . . . . 0.0 110.995 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.47 61.76 1.61 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.3 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.66 40.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.85 ' HB3' ' HB2' ' A' ' 55' ' ' GLN . 59.4 p -122.53 162.64 21.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.372 0.606 . . . . 0.0 112.546 -173.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -133.43 142.98 46.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.348 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 127.07 23.07 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.896 2.398 . . . . 0.0 111.996 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -63.31 -28.79 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.062 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.02 17.4 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.682 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.558 ' HG2' HG22 ' A' ' 68' ' ' THR . 30.0 tt0 -87.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.558 HG22 ' HG2' ' A' ' 67' ' ' GLN . 8.3 t 176.75 -35.97 0.01 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.662 -178.631 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.8 m80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.654 0.264 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.6 150.97 23.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.23 -13.57 62.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.517 0.675 . . . . 0.0 110.251 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -82.69 -12.76 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.909 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.6 m -86.64 135.42 36.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.484 -176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.22 2.85 2.42 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.884 2.39 . . . . 0.0 112.399 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.33 -29.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.088 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.76 -51.07 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' ' 86' ' ' ILE . 6.3 tp -64.99 -44.15 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.473 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' HD13 ' B' ' 33' ' ' ILE . . . -55.55 -41.67 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.68 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 86.0 tttt -64.25 -36.97 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.274 0.559 . . . . 0.0 110.815 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.22 -37.59 83.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 82' ' ' ILE . 50.5 mm -62.65 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.829 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -70.0 -15.55 63.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.493 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 t -86.51 -37.85 17.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.507 ' OG ' ' HD3' ' A' ' 31' ' ' ARG . 32.8 m 65.0 17.38 11.06 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.12 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 120.567 0.222 . . . . 0.0 110.73 -178.758 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.561 0.219 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -142.59 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -72.92 70.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.512 0.508 . . . . 0.0 111.665 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.28 117.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.653 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.14 102.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.299 0.571 . . . . 0.0 110.703 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.785 HG23 ' H ' ' B' ' 25' ' ' THR . 13.0 t 174.63 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.987 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.24 -30.17 68.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 0.0 110.996 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.785 ' H ' HG23 ' B' ' 23' ' ' THR . 10.2 m -76.32 -33.94 59.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.575 -175.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.94 93.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.02 81.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.327 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' B' ' 31' ' ' ARG . 10.6 tp10 -61.49 -42.69 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.273 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.25 -53.75 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 111.066 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.45 -34.68 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 1.8 tmt_? -60.92 -42.06 97.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.376 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -57.1 -46.33 82.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.381 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 83' ' ' ALA . 32.9 mt -64.42 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.775 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -63.9 -39.26 93.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.478 -174.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.1 m -66.21 -32.62 74.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -71.96 -42.64 66.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.367 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.6 pp -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 110.826 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.99 -26.45 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.53 0.681 . . . . 0.0 109.95 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -90.65 -44.02 9.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.469 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.449 HG22 ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -133.14 31.1 3.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -168.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HB1' ' A' ' 41' ' ' ALA . . . -117.68 31.16 6.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.384 0.611 . . . . 0.0 110.748 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 47.2 mt -120.27 134.14 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.726 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -106.16 152.81 22.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 pt -110.47 111.24 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-O 121.103 0.478 . . . . 0.0 110.326 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 m -106.89 106.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.467 0.651 . . . . 0.0 110.464 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.756 ' HA ' ' H ' ' B' ' 52' ' ' ALA . 14.1 m -107.82 138.28 44.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.187 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.556 ' H ' ' HA3' ' B' ' 51' ' ' GLY . 56.4 mm-40 -75.24 158.4 32.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.792 0.329 . . . . 0.0 110.607 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.96 -36.61 72.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.887 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -89.45 -65.79 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.99 -86.09 0.55 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.704 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.556 ' HA3' ' H ' ' B' ' 47' ' ' GLU . . . 54.27 -121.84 21.39 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-O 121.467 0.482 . . . . 0.0 112.851 -175.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.756 ' H ' ' HA ' ' B' ' 46' ' ' SER . . . 77.57 84.05 0.08 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.473 -1.364 . . . . 0.0 111.422 177.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -129.08 120.15 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.384 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -95.93 107.41 19.67 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -140.55 146.16 37.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.327 0.584 . . . . 0.0 111.39 -172.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -84.72 145.67 27.81 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 40' ' ' THR . 74.0 mmtt -53.16 -38.33 62.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.084 0.468 . . . . 0.0 111.726 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.78 6.77 26.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 16.8 t 65.32 21.29 11.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.212 0.53 . . . . 0.0 110.664 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.77 92.92 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.474 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.17 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -137.02 124.72 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' HD2' ' B' ' 64' ' ' PRO . 13.5 p -151.92 143.24 15.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.421 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 10.1 Cg_endo -52.38 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.048 2.499 . . . . 0.0 113.376 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 57.66 -166.67 0.14 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.124 176.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.13 84.48 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.445 ' O ' ' HB ' ' B' ' 68' ' ' THR . 7.2 tt0 -155.02 107.99 2.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.421 -177.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' B' ' 67' ' ' GLN . 91.6 m 74.91 142.82 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.381 0.61 . . . . 0.0 111.606 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.941 178.281 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 27.2 p80 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.635 0.255 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.57 126.16 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.293 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.36 -25.44 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.25 0.548 . . . . 0.0 110.541 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.2 -17.2 60.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.737 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.528 ' SG ' HG22 ' B' ' 80' ' ' VAL . 15.9 t -74.89 130.0 82.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.813 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 25.7 Cg_exo -63.37 -13.29 35.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.314 2.676 . . . . 0.0 113.05 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.528 HG22 ' SG ' ' B' ' 78' ' ' CYS . 31.5 m -64.24 -29.4 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.316 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.07 -48.33 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 120.697 0.284 . . . . 0.0 111.41 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.505 ' O ' HG13 ' B' ' 86' ' ' ILE . 2.7 pp -74.9 -31.75 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.786 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.27 -53.07 62.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.653 0.263 . . . . 0.0 111.062 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.548 ' HA ' ' CD2' ' B' ' 87' ' ' LEU . 0.0 OUTLIER -63.55 -28.67 70.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.547 176.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.36 -40.8 94.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.716 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.546 HD13 ' HE2' ' A' ' 19' ' ' PHE . 91.1 mt -66.78 -45.69 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.315 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.548 ' CD2' ' HA ' ' B' ' 84' ' ' LYS . 3.0 pp -66.45 -24.97 66.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 t -75.59 -54.26 7.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.496 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.535 0.394 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.38 175.695 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -107.47 92.27 4.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.394 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CE1' HG21 ' B' ' 30' ' ' VAL . 56.3 m-85 68.14 -46.6 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.284 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.14 -35.43 71.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.27 0.557 . . . . 0.0 110.273 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.46 123.94 3.53 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.548 ' HB2' ' HB3' ' B' ' 19' ' ' PHE . 1.1 mmt -133.27 174.86 9.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.005 0.402 . . . . 0.0 110.698 -173.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -122.5 -178.03 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.84 -35.71 74.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.5 m -56.71 -28.52 61.09 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.715 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.515 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.442 ' HA ' ' CE2' ' B' ' 19' ' ' PHE . . . -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.685 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 36.1 tt0 -75.68 -46.46 31.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.26 -54.58 43.62 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.25 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.48 -37.99 81.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 87' ' ' LEU . 47.5 ttt180 -67.5 -43.78 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.709 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 27.3 mtpp -63.83 -42.69 97.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.821 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 77.8 mt -67.15 -51.37 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . . . -57.69 -35.76 71.05 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 112.078 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -72.67 -31.79 65.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.74 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -70.24 -32.36 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 40' ' ' THR . 13.4 mt -60.59 -39.4 87.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.8 -36.61 67.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.57 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -91.44 -15.63 28.58 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 37' ' ' LEU . 6.8 t -105.68 -22.44 12.96 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.33 -19.03 19.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.23 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.89 112.74 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 159.46 15.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.532 0.682 . . . . 0.0 111.768 -173.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.2 pp -111.61 124.27 68.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.645 169.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.313 -1.015 0 CA-C-O 121.462 0.649 . . . . 0.0 110.794 -176.325 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 62' ' ' SER . 22.1 t-20 -82.75 128.22 34.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -130.03 142.15 50.65 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.231 0.539 . . . . 0.0 111.185 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 15.7 p -116.54 88.81 2.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 3.0 ttmp? -55.42 -24.21 29.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.002 -174.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.4 -37.19 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 32.5 t -99.73 -38.06 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.5 9.4 41.15 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.419 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -92.21 159.43 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.657 0.265 . . . . 0.0 111.006 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 19.5 p -161.59 143.4 11.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.001 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 64' ' ' PRO . 1.6 p -149.98 156.69 38.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 63' ' ' VAL . 3.8 Cg_exo -42.1 128.15 4.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.883 2.389 . . . . 0.0 112.025 172.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -60.93 -23.54 65.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.569 -171.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 tp -93.03 35.03 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -157.45 131.69 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.2 m -67.22 -51.09 57.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 113.528 174.177 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.572 0.225 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 162.66 14.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.457 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.01 -32.04 73.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.384 0.611 . . . . 0.0 110.135 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.11 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.723 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 80' ' ' VAL . 72.1 m -80.79 122.13 81.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.886 0.374 . . . . 0.0 111.178 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 26.4 Cg_exo -63.87 -15.41 48.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.047 2.498 . . . . 0.0 112.389 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 78' ' ' CYS . 28.3 m -61.99 -30.05 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.39 -34.26 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 121.211 0.529 . . . . 0.0 109.916 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 86' ' ' ILE . 43.0 mm -70.18 -49.82 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.111 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' B' ' 33' ' ' ILE . . . -57.44 -41.94 81.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.95 -47.07 87.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.401 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.462 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.9 mt -60.71 -42.67 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.555 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.637 ' HB2' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -80.36 -6.39 57.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.81 0.338 . . . . 0.0 111.441 -176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.0 m -103.71 29.61 5.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.933 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -55.15 -39.57 69.61 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.65 0.738 . . . . 0.0 109.403 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 169.516 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.544 ' O ' ' HG2' ' B' ' 22' ' ' MET . 2.8 p90 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 22' ' ' MET . 49.4 m-85 -73.1 161.58 30.46 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.378 175.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.52 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 42.5 tp60 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.593 0.558 . . . . 0.0 111.472 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.03 50.71 1.18 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.115 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 13.4 mmt -111.82 162.24 15.48 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 111.375 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.404 HG22 ' H ' ' B' ' 24' ' ' ASP . 0.8 OUTLIER -104.75 171.94 7.06 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.278 177.611 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.404 ' H ' HG22 ' B' ' 23' ' ' THR . 1.8 m-20 -58.21 -25.07 61.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.224 0.535 . . . . 0.0 111.038 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -72.0 -13.14 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.732 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.46 -38.45 84.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.541 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -74.8 -39.46 61.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.481 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 13.7 t70 -72.94 -27.59 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.179 0.514 . . . . 0.0 110.144 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' A' ' 19' ' ' PHE . 88.5 t -72.49 -40.57 63.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.924 172.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 11.5 ttm-85 -60.64 -34.97 75.06 Favored 'General case' 0 N--CA 1.461 0.09 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.566 ' HB3' ' O ' ' B' ' 29' ' ' ASP . 16.8 tptm -52.11 -46.82 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.835 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 83' ' ' ALA . 39.2 mt -74.12 -45.58 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.509 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.86 -31.31 72.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.343 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.3 m -58.25 -30.58 66.67 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.4 71.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.397 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 18.8 mt -65.8 -41.79 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.39 -25.55 65.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.999 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -88.06 -54.08 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.0 88.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.226 1.013 . . . . 0.0 111.917 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -132.6 6.3 4.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.185 171.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -113.01 122.56 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.68 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 7.1 pt-20 -104.75 150.37 24.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.022 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 pt -99.52 114.89 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 121.351 0.596 . . . . 0.0 111.312 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -90.78 122.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.682 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -84.34 140.95 31.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.205 0.526 . . . . 0.0 110.737 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.408 ' OE1' ' HA3' ' B' ' 51' ' ' GLY . 39.8 mt-10 -80.91 135.77 35.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.315 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.15 -29.64 70.96 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 123.396 0.435 . . . . 0.0 110.532 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.66 -26.85 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.878 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.22 66.49 0.2 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.408 ' HA3' ' OE1' ' B' ' 47' ' ' GLU . . . -162.92 -159.79 10.71 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.11 145.33 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.133 0.492 . . . . 0.0 111.415 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.62 142.07 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.089 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.771 HD21 ' HA ' ' B' ' 65' ' ' TRP . 31.6 m-80 -82.05 129.88 34.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 8.6 tt0 -152.21 142.02 21.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.249 0.547 . . . . 0.0 111.721 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.64 125.17 48.25 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 166.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.21 -3.3 3.74 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.773 HD23 ' HD2' ' B' ' 79' ' ' PRO . 10.2 mp -83.11 -3.87 57.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.499 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 65.2 m 74.31 21.67 2.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.081 0.552 . . . . 0.0 111.038 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . 0.552 ' HA2' ' HB3' ' B' ' 75' ' ' ALA . . . -79.04 -46.22 8.43 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.13 144.7 24.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 10.5 t -157.93 134.56 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.625 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.46 HG11 ' HA2' ' B' ' 69' ' ' GLY . 14.6 p -156.21 145.55 15.19 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.328 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.77 147.75 1.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.989 2.459 . . . . 0.0 112.153 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.771 ' HA ' HD21 ' B' ' 54' ' ' ASN . 0.5 OUTLIER -80.09 164.61 23.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.888 -175.463 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 71.81 11.93 6.25 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.646 0.591 . . . . 0.0 110.605 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.65 164.23 16.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.7 m -70.69 105.1 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.933 0.396 . . . . 0.0 110.751 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.46 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.5 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.574 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' HA2' ' B' ' 60' ' ' GLY . . . -104.45 117.14 33.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.07 -16.62 61.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.512 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 69.6 m -85.95 125.42 68.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.741 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.773 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.2 Cg_exo -57.54 -28.12 79.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.188 2.592 . . . . 0.0 112.952 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.416 HG23 HD22 ' B' ' 58' ' ' LEU . 61.7 t -64.35 -39.2 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.615 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 67.9 t -68.44 -40.14 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -75.75 -35.23 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.09 99.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.719 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 21.8 pttp -64.73 -28.07 69.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.576 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -75.57 -30.44 59.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.482 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 82' ' ' ILE . 70.9 mt -60.76 -50.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.444 176.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.611 ' HB2' ' HG3' ' B' ' 31' ' ' ARG . 4.6 pp -68.95 -18.08 64.03 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.401 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.5 m -85.35 -55.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.287 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 CA--C 1.534 0.328 0 O-C-N 123.779 0.674 . . . . 0.0 111.472 179.051 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -97.07 169.92 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -72.72 88.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.244 0.545 . . . . 0.0 112.381 -172.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -139.99 -85.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.13 69.46 1.34 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.9 tpt -73.97 145.48 44.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.358 . . . . 0.0 110.655 -172.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.74 0.4 20.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.917 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' B' ' 19' ' ' PHE . 35.6 t70 74.41 -41.73 0.48 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.764 0.826 . . . . 0.0 112.119 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -57.91 -16.68 12.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.107 0.48 . . . . 0.0 111.476 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -57.45 -27.24 62.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.84 65.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.181 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 9.6 tp10 -61.14 -45.77 93.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.472 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 7.6 m-20 -77.7 -31.31 52.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 0.0 111.225 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 26' ' ' ALA . 67.9 t -69.25 -33.87 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 36.0 ptt180 -73.22 -27.94 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.816 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 93.5 mttt -58.28 -50.91 71.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.708 0.289 . . . . 0.0 110.465 174.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.61 HG22 ' HB2' ' B' ' 79' ' ' PRO . 40.0 pt -69.16 -29.69 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.544 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HB1' ' HB1' ' A' ' 83' ' ' ALA . . . -64.97 -32.7 74.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.582 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -76.49 -30.3 57.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.039 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.93 -26.55 68.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.338 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.46 -43.45 98.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.688 ' HA ' HG12 ' A' ' 42' ' ' ILE . 9.7 mp -70.25 -26.16 63.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.608 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.661 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -76.3 -18.68 58.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.754 ' HB ' ' HB1' ' B' ' 41' ' ' ALA . 21.0 p -117.36 -54.22 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 -20.14 54.72 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.897 0.38 . . . . 0.0 111.386 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.688 HG12 ' HA ' ' A' ' 38' ' ' LEU . 28.6 mm -93.43 105.98 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -133.02 135.81 45.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.747 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -89.98 122.38 41.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.016 -175.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.463 0.649 . . . . 0.0 109.353 173.236 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.645 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 60.1 t30 -82.68 106.92 14.93 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -110.65 137.11 48.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.679 0.752 . . . . 0.0 112.371 -170.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 7.6 p -98.3 132.52 43.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 168.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -85.92 -131.85 0.05 Allowed 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp 67.06 -61.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.252 0.621 . . . . 0.0 111.366 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.52 -14.25 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.175 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.83 70.77 1.34 Allowed Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.722 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.94 144.63 50.95 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -100.65 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.099 0.476 . . . . 0.0 111.587 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.9 t -132.36 139.64 35.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.045 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.62 128.55 26.49 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.67 2.247 . . . . 0.0 112.002 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -64.52 -41.39 96.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.372 -174.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.92 32.53 0.74 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 111.975 -173.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -142.41 149.14 38.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.3 t -66.28 -7.48 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.532 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -177.669 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.1 m80 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB3' ' SG ' ' A' ' 78' ' ' CYS . . . -68.52 147.57 51.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.725 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.17 -17.98 64.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.212 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -89.4 -1.6 58.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.58 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 95.7 m -83.5 124.7 75.3 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.289 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 31.1 Cg_exo -62.52 -17.44 58.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.127 2.552 . . . . 0.0 112.265 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.07 -31.02 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.993 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 54.7 t -63.04 -40.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.34 -45.81 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' HB1' ' HB1' ' A' ' 34' ' ' ALA . . . -58.49 -38.88 78.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.254 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -66.21 -38.92 89.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 79.4 mt-30 -58.38 -43.93 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.25 -49.45 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.536 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 4.4 pp -72.18 -16.05 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.432 -177.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.5 m -77.39 -37.63 51.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.656 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t 61.1 28.63 18.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.65 0.738 . . . . 0.0 109.73 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.415 -170.857 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 64.1 m-85 -84.65 7.55 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -72.61 -25.05 61.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.372 0.606 . . . . 0.0 110.168 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.2 118.66 0.66 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.1 mtt -117.47 179.52 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 0.0 111.289 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -125.11 -179.02 4.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.174 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.34 -46.35 87.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.808 -173.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 -16.68 64.51 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -61.59 -31.3 71.35 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.788 0.328 . . . . 0.0 111.344 -177.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.27 69.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.352 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.1 -40.14 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.24 -31.99 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.496 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 26' ' ' ALA . 62.1 t -62.24 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.224 0.535 . . . . 0.0 109.837 173.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.49 -40.23 95.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.315 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.1 -47.01 68.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.569 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.62 -38.65 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 111.627 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.56 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.454 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -74.69 -29.56 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.692 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.525 ' O ' HG22 ' B' ' 40' ' ' THR . . . -55.23 -41.35 71.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.133 0.492 . . . . 0.0 109.769 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.668 HD21 HG13 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -54.84 -51.81 64.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.883 174.473 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.517 ' HG ' HD12 ' B' ' 42' ' ' ILE . 8.0 tt -62.19 -31.01 71.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.219 0.533 . . . . 0.0 110.888 -176.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -85.05 -47.53 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.525 HG22 ' O ' ' B' ' 36' ' ' ALA . 11.0 t -107.27 -7.17 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -171.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.754 ' HB1' ' HB ' ' A' ' 40' ' ' THR . . . -110.59 -9.15 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.986 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.517 HD12 ' HG ' ' B' ' 38' ' ' LEU . 55.5 mt -103.65 140.74 20.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.506 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -115.86 138.13 51.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.558 -177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.94 128.48 61.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.598 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' B' ' 53' ' ' HIS . 6.8 m -100.81 105.99 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.6 p -108.76 139.72 43.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.096 -172.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.7 170.88 15.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.436 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.18 -71.78 0.11 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.441 0.639 . . . . 0.0 111.05 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -115.3 -2.71 12.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.352 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.37 -124.28 0.81 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.399 -177.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.62 -149.98 13.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.786 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -145.46 145.61 31.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.602 ' HB2' HG23 ' B' ' 45' ' ' VAL . 55.9 m-70 -119.66 110.75 17.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.285 0.564 . . . . 0.0 110.419 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.54 ' O ' ' HA ' ' B' ' 62' ' ' SER . 35.9 t30 -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.695 ' HG2' ' HB3' ' B' ' 62' ' ' SER . 42.8 mt-30 -102.75 117.37 34.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.7 112.48 6.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 57' ' ' LYS . 3.2 tmmm? -82.97 72.29 10.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -170.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 40' ' ' THR . 9.4 tp -178.99 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.886 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.9 t -94.91 -15.62 23.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.22 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.94 30.92 62.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.21 135.97 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.695 ' HB3' ' HG2' ' B' ' 55' ' ' GLN . 38.9 p -125.76 146.35 49.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.481 . . . . 0.0 111.467 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -130.86 143.49 49.59 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.952 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' B' ' 65' ' ' TRP . 36.7 Cg_exo -62.75 5.28 0.28 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.184 2.59 . . . . 0.0 113.84 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' B' ' 64' ' ' PRO . 56.4 t-105 75.73 -52.63 0.63 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.507 0.723 . . . . 0.0 112.54 172.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' B' ' 66' ' ' LEU . 3.9 mm? -57.46 -39.18 75.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.61 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -178.95 148.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.711 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.582 175.662 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . 0.483 ' CD2' HG11 ' B' ' 81' ' ' VAL . 7.5 p-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.3 124.58 28.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 165.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -80.21 1.87 26.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.502 0.668 . . . . 0.0 111.137 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.52 1.33 53.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.818 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.06 123.65 56.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.61 ' HB2' HG22 ' A' ' 33' ' ' ILE . 19.2 Cg_endo -60.43 -30.13 90.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.034 2.489 . . . . 0.0 112.414 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.668 HG13 HD21 ' B' ' 37' ' ' LEU . 60.1 t -59.69 -30.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 110.682 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' B' ' 74' ' ' HIS . 89.4 t -72.83 -51.39 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.02 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.46 ' O ' HG13 ' B' ' 86' ' ' ILE . 1.3 pp -65.17 -32.17 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.2 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.429 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 99.1 mttt -64.03 -38.27 90.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.174 0.512 . . . . 0.0 110.275 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.92 -34.47 77.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.28 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.8 mt -75.37 -42.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.4 pp -76.48 5.56 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -173.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.6 t -67.36 175.55 2.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.498 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -174.072 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.217 0.532 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -99.54 23.62 9.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 122.087 0.946 . . . . 0.0 109.73 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' HB3' ' B' ' 26' ' ' ALA . 89.5 m-85 -79.84 19.26 0.7 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.594 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -71.66 -46.89 57.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.96 144.59 12.8 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.3 mmt -117.77 -179.44 3.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.072 0.436 . . . . 0.0 110.858 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -157.99 -167.74 2.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -44.51 -63.33 0.92 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.192 0.997 . . . . 0.0 113.256 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -70.47 -23.14 62.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.717 -171.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.53 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.952 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -51.25 61.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.361 -177.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.4 -35.43 79.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.657 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 26' ' ' ALA . 95.8 t -64.52 -46.04 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.037 0.446 . . . . 0.0 110.307 175.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.77 -36.96 77.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.186 0.517 . . . . 0.0 110.089 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HB2' ' HZ2' ' A' ' 32' ' ' LYS . 4.5 ttmp? -62.37 -55.4 28.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.18 -35.06 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.54 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.37 93.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.016 0.436 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -69.13 -36.37 77.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.15 -50.82 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.276 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD22 ' O ' ' B' ' 33' ' ' ILE . 4.2 pp -64.72 -32.83 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.04 -48.83 69.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -69.18 -17.93 63.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.87 -177.014 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.411 HG22 ' O ' ' B' ' 41' ' ' ALA . 5.8 m -96.56 -29.34 13.93 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.034 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 -18.58 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.81 100.14 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.986 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -143.57 152.07 40.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.298 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.3 pt -87.92 121.32 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.387 0.613 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.997 178.267 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 51.7 t-20 -90.84 106.48 18.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -122.91 119.74 31.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.419 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.3 p -70.94 119.83 15.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.305 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' B' ' 40' ' ' THR . 20.5 mtpp -77.59 4.39 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.515 HD23 HG23 ' A' ' 80' ' ' VAL . 12.3 tp -106.05 -10.62 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.4 m -145.59 -32.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.152 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -6.61 35.14 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.388 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.84 147.29 37.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.615 0.245 . . . . 0.0 110.676 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.2 m -114.13 147.87 38.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.591 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 10.0 p -137.76 154.18 74.51 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.591 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 65.3 Cg_exo -38.53 128.04 1.12 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.78 2.32 . . . . 0.0 112.638 170.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.654 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 5.0 p90 -65.7 163.89 15.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.133 -175.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 66' ' ' LEU . 1.9 tm? 76.6 -34.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.335 0.654 . . . . 0.0 111.297 174.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' A' ' 68' ' ' THR . 4.9 tt0 -77.4 173.69 11.66 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.732 0.301 . . . . 0.0 111.218 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.4 ' H ' ' HG2' ' A' ' 67' ' ' GLN . 12.4 t -71.98 -17.74 62.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.95 -178.032 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.382 0.611 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 78' ' ' CYS . . . -70.29 151.7 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.283 170.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.4 -43.08 99.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.995 0.426 . . . . 0.0 111.59 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -104.38 15.62 27.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.502 -174.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.0 t -54.66 124.6 50.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.011 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.561 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . 52.4 Cg_exo -54.52 -31.63 70.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.34 2.693 . . . . 0.0 113.296 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG23 HD23 ' A' ' 58' ' ' LEU . 85.0 t -59.71 -40.09 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.11 0.481 . . . . 0.0 110.549 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 t -67.97 -41.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.179 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.93 -48.35 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.76 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.723 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.05 -40.04 94.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.441 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -61.92 -45.56 93.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.41 -46.38 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.14 -14.43 61.82 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.678 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 m -90.53 -29.3 17.96 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.366 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p 59.57 164.54 0.05 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 112.593 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 . . . . . 0 N--CA 1.468 0.426 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.5 178.792 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.102 0.477 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -58.96 -29.07 66.89 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.73 -15.44 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.715 0.293 . . . . 0.0 111.624 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.92 -64.34 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.507 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.671 ' SD ' ' HB2' ' B' ' 26' ' ' ALA . 18.3 mmt 69.1 160.32 0.19 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.689 0.796 . . . . 0.0 112.36 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' B' ' 24' ' ' ASP . 12.2 t -158.29 39.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.945 0.878 . . . . 0.0 110.072 -174.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 23' ' ' THR . 21.4 t70 79.35 -33.93 0.15 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.27 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -56.92 -17.94 11.49 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.671 ' HB2' ' SD ' ' B' ' 22' ' ' MET . . . -56.75 -35.56 68.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.432 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.89 68.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.472 . . . . 0.0 110.643 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -49.81 11.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.788 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 26.2 m-20 -62.49 -39.76 94.52 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.17 -41.59 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.428 . . . . 0.0 110.406 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -37.74 86.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 0.0 110.025 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 35.6 ttmt -57.5 -55.51 33.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.329 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 79' ' ' PRO . 36.5 pt -69.18 -32.88 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.37 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -65.91 -44.56 84.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -58.57 -29.03 66.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.535 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -43.46 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.062 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.5 pp -77.37 -24.56 50.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 0.0 110.809 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.9 -32.43 65.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.569 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.38 -58.07 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.464 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 3.3 t -176.18 85.51 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.065 0.936 . . . . 0.0 110.946 177.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.679 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.48 -27.95 14.2 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.181 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.2 mt -87.54 155.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.54 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.1 146.4 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.79 -174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.587 HG23 ' HB1' ' B' ' 52' ' ' ALA . 9.2 mm -98.75 117.4 43.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.013 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 53' ' ' HIS . 17.5 m -99.41 120.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.4 m -95.31 141.37 28.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.257 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.44 160.6 14.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.612 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.73 -40.68 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.594 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -57.15 -51.8 67.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.128 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.65 70.37 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.771 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.36 -175.04 47.14 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.587 ' HB1' HG23 ' B' ' 44' ' ' ILE . . . -151.12 171.29 17.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.581 0.229 . . . . 0.0 110.546 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.437 ' HB2' HG23 ' B' ' 45' ' ' VAL . 90.5 m-70 -137.47 137.11 38.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.431 ' HB3' HG13 ' B' ' 63' ' ' VAL . 61.0 t30 -117.86 105.29 11.79 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -114.17 127.41 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 111.705 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.5 t -86.3 112.87 21.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.893 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.4 OUTLIER -75.57 -21.15 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.356 . . . . 0.0 111.047 -170.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -84.54 -21.54 30.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -111.54 -30.11 7.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.36 6.95 73.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.615 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.32 138.81 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.643 0.258 . . . . 0.0 110.438 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -127.53 133.6 49.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' B' ' 67' ' ' GLN . 4.7 p -129.24 122.08 20.88 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.02 92.85 0.72 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.245 1.963 . . . . 0.0 113.56 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 15.9 t90 51.82 -93.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.751 171.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.69 94.64 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.535 0.683 . . . . 0.0 110.84 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.489 ' HB3' ' CG2' ' B' ' 63' ' ' VAL . 7.4 tp-100 -141.41 168.22 20.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.392 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -47.67 78.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.68 0.276 . . . . 0.0 111.381 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.434 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.085 170.688 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 p80 . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.88 117.0 29.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.754 175.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.539 ' HA ' HG21 ' B' ' 81' ' ' VAL . 74.8 m-20 -80.77 -7.54 59.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.769 -172.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.2 -1.34 32.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 70.7 m -90.65 136.04 28.46 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.96 -21.09 56.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.196 2.597 . . . . 0.0 112.765 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.06 -30.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.539 HG21 ' HA ' ' B' ' 76' ' ' ASP . 60.3 t -73.29 -34.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 109.914 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 86' ' ' ILE . 41.1 mm -57.86 -47.35 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.872 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.71 78.06 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.104 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.47 -38.78 81.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.325 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.54 -34.04 60.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 82' ' ' ILE . 71.4 mt -65.67 -44.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.62 -1.67 32.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.201 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -96.11 19.44 11.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.468 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.166 0.508 . . . . 0.0 111.398 -179.093 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.213 0.53 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -81.12 179.22 7.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.102 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 97.5 m-85 -54.2 152.09 6.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 8.7 tt0 76.02 6.78 3.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.034 0.834 . . . . 0.0 110.071 -175.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.58 64.87 0.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.786 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -106.9 129.85 54.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 -178.057 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -103.89 -68.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.101 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -161.96 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -59.85 -22.58 62.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.38 -20.72 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.233 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.448 ' HA ' ' CZ ' ' B' ' 19' ' ' PHE . . . -72.79 -29.2 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.066 0.46 . . . . 0.0 110.485 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -71.23 -33.28 69.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.917 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' B' ' 86' ' ' ILE . 22.1 t70 -73.52 -53.62 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.392 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG21 ' HZ ' ' B' ' 19' ' ' PHE . 35.2 m -67.46 -32.99 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.754 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.738 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.1 ttp180 -68.35 -30.17 69.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.258 0.551 . . . . 0.0 109.87 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB2' ' HE2' ' A' ' 32' ' ' LYS . 21.0 ttmm -69.6 -50.4 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.614 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.518 HD13 HD12 ' B' ' 86' ' ' ILE . 31.0 pt -65.73 -33.55 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.729 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.73 82.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.241 0.543 . . . . 0.0 110.724 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -74.76 -38.99 62.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.9 94.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.925 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HA ' HG22 ' A' ' 40' ' ' THR . 4.6 pp -66.74 -24.9 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.49 -31.95 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.692 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.0 -16.87 39.38 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.372 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.0 t -97.54 -17.0 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.566 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.21 -14.54 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.767 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.2 mm -112.94 91.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.916 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.82 152.36 49.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.417 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 12.6 tt -126.95 122.27 59.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.643 0.735 . . . . 0.0 111.598 -174.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 53' ' ' HIS . 2.5 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.006 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' HB2' HG23 ' A' ' 45' ' ' VAL . 78.7 m-70 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.521 0.2 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.621 ' H ' ' CG2' ' A' ' 63' ' ' VAL . 6.8 t30 -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -107.22 113.64 27.19 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.45 0.643 . . . . 0.0 110.983 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.898 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 43.1 t -99.79 89.09 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.23 23.85 9.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.498 -171.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -74.24 -48.75 26.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.9 p -115.04 -53.08 2.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.104 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.12 69.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.391 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.898 ' HB3' ' HB3' ' A' ' 56' ' ' CYS . . . -117.7 159.04 23.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.591 0.234 . . . . 0.0 110.584 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -100.31 -169.95 1.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 111.429 -174.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.621 ' CG2' ' H ' ' A' ' 54' ' ' ASN . 1.5 p -96.13 119.54 64.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.152 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -88.24 6.4 4.89 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.271 2.647 . . . . 0.0 113.068 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.428 ' H ' HG22 ' A' ' 63' ' ' VAL . 33.0 t-105 -75.18 -151.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.57 65.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.408 0.623 . . . . 0.0 110.819 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -164.76 150.03 9.82 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -74.82 81.98 2.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.771 176.096 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 35.3 m80 . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.06 -0.019 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . 77.04 132.24 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.328 1.017 . . . . 0.0 110.331 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.11 -20.9 55.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.1 14.56 23.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.35 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.555 ' SG ' HG22 ' A' ' 80' ' ' VAL . 32.1 p -66.93 158.72 79.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.81 -26.36 15.88 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.945 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG22 ' SG ' ' A' ' 78' ' ' CYS . 29.7 m -67.82 -30.57 48.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG13 ' SG ' ' A' ' 78' ' ' CYS . 15.8 m -64.51 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.775 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' ' 86' ' ' ILE . 51.9 mm -68.41 -44.87 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.064 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.23 87.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.95 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -63.59 -37.48 87.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.477 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.01 -37.78 84.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 82' ' ' ILE . 71.5 mt -70.54 -42.13 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.498 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.738 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -73.84 -17.37 61.07 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -78.72 -32.71 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.387 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 48.7 m 62.63 -174.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.375 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 89' ' ' SER . 68.5 mtp180 . . . . . 0 N--CA 1.466 0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.358 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--O 1.235 0.327 0 CA-C-O 122.148 0.975 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 27' ' ' ALA . 97.3 m-85 69.35 178.98 0.25 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.135 -176.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.66 -62.67 0.18 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.278 0.631 . . . . 0.0 109.958 -166.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.4 87.39 0.61 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 tpt -134.23 125.6 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 11.8 t -123.98 -171.18 2.27 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.84 -54.42 15.3 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.708 1.203 . . . . 0.0 114.027 -173.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.41 -1.39 10.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.36 -23.21 40.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.224 0.535 . . . . 0.0 109.933 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.89 -26.63 66.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.569 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -51.82 -53.04 44.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.3 -44.43 52.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.855 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.79 -42.42 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.558 ' HG2' ' HA ' ' B' ' 87' ' ' LEU . 82.3 mtp180 -68.76 -30.27 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.076 -0.39 . . . . 0.0 110.789 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -65.47 -46.59 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.017 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.4 pt -65.96 -32.82 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.33 -32.91 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.219 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -73.81 -30.48 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 0.0 110.813 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.33 86.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.882 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.99 -25.14 65.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 111.33 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' B' ' 84' ' ' LYS . 6.7 tt -77.75 -31.49 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.256 0.551 . . . . 0.0 109.546 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -76.93 -51.8 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.5 t -154.96 82.03 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.016 0.912 . . . . 0.0 112.015 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.1 17.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.52 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.425 HG22 ' OD1' ' B' ' 54' ' ' ASN . 39.9 mt -123.96 126.45 72.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.419 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -106.64 166.97 10.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.279 0.561 . . . . 0.0 111.784 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.525 ' O ' HD12 ' B' ' 44' ' ' ILE . 1.8 pp -111.63 134.78 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.697 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 m -104.8 121.37 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.262 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 5.0 m -102.52 124.24 47.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.05 0.452 . . . . 0.0 111.842 -172.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.83 133.46 44.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.883 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.6 -40.37 78.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.095 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -116.2 116.32 27.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.431 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -63.77 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.091 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.78 175.1 14.06 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -91.72 127.12 37.06 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.823 0.344 . . . . 0.0 110.086 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.565 ' HB3' ' HB2' ' B' ' 62' ' ' SER . 87.2 m-70 -107.53 126.14 52.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.834 -176.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.425 ' OD1' HG22 ' B' ' 42' ' ' ILE . 5.7 t-20 -87.09 105.95 17.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 174.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.74 120.02 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 112.143 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.5 t -74.74 108.64 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.794 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 40' ' ' THR . 59.4 tptt -60.8 -35.17 75.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.937 -175.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.486 HD13 ' HG2' ' B' ' 79' ' ' PRO . 95.3 mt -96.38 8.32 44.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.4 t -134.5 -27.08 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.58 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.66 48.7 7.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.369 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.8 138.79 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' B' ' 53' ' ' HIS . 2.2 p -113.53 137.98 50.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.025 0.441 . . . . 0.0 111.598 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.64 144.92 45.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.287 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -42.81 140.98 2.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.253 2.635 . . . . 0.0 112.889 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 13.4 p-90 -65.28 174.67 1.98 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp 80.36 -31.05 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.815 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -92.84 173.86 7.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.713 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.5 m -84.43 137.55 33.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.694 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.464 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.241 -177.584 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 120.954 0.407 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 147.24 42.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.662 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.0 -13.35 60.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.78 0.8 . . . . 0.0 108.986 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.17 -5.66 58.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.543 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.494 ' SG ' HG23 ' B' ' 81' ' ' VAL . 16.3 p -92.54 144.19 28.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 -174.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.486 ' HG2' HD13 ' B' ' 58' ' ' LEU . 21.1 Cg_endo -62.95 -16.93 57.35 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.03 2.487 . . . . 0.0 112.818 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' B' ' 58' ' ' LEU . 60.5 t -58.94 -46.5 91.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.19 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.494 HG23 ' SG ' ' B' ' 78' ' ' CYS . 94.9 t -65.16 -40.63 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.3 mm -59.04 -50.32 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.243 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.37 -51.88 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.649 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 56.3 pttt -71.07 -26.74 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 111.447 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' B' ' 82' ' ' ILE . 27.4 tt0 -61.0 -39.8 91.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.56 173.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.518 HD12 HD13 ' A' ' 33' ' ' ILE . 77.6 mt -74.99 -43.3 45.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.671 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.649 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -67.06 -16.46 64.36 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.849 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.1 m -85.78 96.32 9.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.047 -175.673 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.936 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG3' ' NH1' ' A' ' 31' ' ' ARG . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 1.119 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.731 HG23 HG23 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.476 HG21 HE21 ' A' ' 55' ' ' GLN . 4.0 m . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.673 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 27.4 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.673 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 61' ' ' ALA . 11.5 t-160 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HA ' HG21 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.635 HG12 ' HB2' ' B' ' 29' ' ' ASP . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.119 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 52.3 mtt180 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.512 ' HG2' ' HB2' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.936 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.635 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.435 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.802 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.497 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.123 0.487 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.537 ' HB2' HG23 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG22 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.587 HG13 HD13 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.513 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.592 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -169.6 173.25 6.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.092 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.33 71.78 3.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.911 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.463 ' HA ' HG23 ' B' ' 23' ' ' THR . 39.5 mt-30 -123.91 -5.4 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.251 0.548 . . . . 0.0 109.716 168.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.58 84.2 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.7 mmt -73.08 137.32 45.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.279 0.561 . . . . 0.0 112.113 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -78.53 169.64 17.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.0 -32.75 74.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.986 0.422 . . . . 0.0 111.015 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -61.62 -28.48 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.672 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -30.17 68.37 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.135 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -68.64 -28.24 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -79.89 -39.93 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.77 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -64.88 -49.98 68.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.27 -31.78 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.128 0.489 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 24.9 ttt85 -61.27 -36.4 79.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.57 -37.99 65.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.869 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.29 -44.63 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.676 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -61.34 -32.07 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.341 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.8 m -67.13 -32.75 74.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.461 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 4.5 pp -65.25 -24.94 67.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.58 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.615 HD11 HD22 ' A' ' 87' ' ' LEU . 87.2 mt -64.75 -34.53 78.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.093 0.473 . . . . 0.0 110.589 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -93.03 -54.87 3.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 p -88.87 -21.75 23.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -78.04 -12.61 60.0 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.601 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.3 mm -77.49 104.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.49 144.49 34.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.1 0.476 . . . . 0.0 111.241 -171.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 54' ' ' ASN . 42.6 mm -101.64 112.65 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.276 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.603 HG23 ' HB2' ' A' ' 53' ' ' HIS . 7.7 m . . . . . 0 C--N 1.315 -0.893 0 CA-C-O 121.683 0.754 . . . . 0.0 109.084 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.603 ' HB2' HG23 ' A' ' 45' ' ' VAL . 77.3 m-70 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.467 0.175 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.614 ' HA ' HD13 ' A' ' 44' ' ' ILE . 48.4 t-20 -82.89 114.64 21.33 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -130.37 124.66 32.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.338 0.59 . . . . 0.0 112.188 -171.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.2 m -83.63 103.21 12.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -80.17 7.68 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 0.0 110.906 -173.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.507 HD23 HG22 ' A' ' 80' ' ' VAL . 10.9 tp -105.99 14.37 28.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.5 t -149.46 -41.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.264 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.89 -9.62 31.95 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.258 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.94 138.75 39.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.968 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 p -142.87 153.23 42.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.156 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.415 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 11.3 p -151.98 146.49 18.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 51.8 Cg_exo -40.05 126.56 1.9 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.925 2.417 . . . . 0.0 112.202 170.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -63.95 -24.58 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.645 -172.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.1 tp -92.81 13.87 19.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.608 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -148.58 -87.59 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.23 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.504 ' H ' HG23 ' A' ' 68' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.714 -176.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.83 40.4 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 169.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -75.63 -4.66 41.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.009 0.433 . . . . 0.0 111.408 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.18 -13.28 53.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.956 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 p -77.56 150.17 79.03 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.758 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.683 ' HB2' HG22 ' B' ' 33' ' ' ILE . 48.8 Cg_endo -68.92 -3.75 12.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.943 2.429 . . . . 0.0 113.306 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG22 HD23 ' A' ' 58' ' ' LEU . 48.4 t -63.02 -33.72 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.12 0.486 . . . . 0.0 110.4 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 43.6 t -61.62 -47.25 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.472 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.33 -41.24 91.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.401 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.81 93.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -61.0 -38.8 87.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.323 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 96.4 mt-30 -60.08 -45.56 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.757 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.3 -52.21 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.278 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 HD11 ' A' ' 38' ' ' LEU . 4.2 pp -70.06 -18.82 63.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.437 -176.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -83.07 -41.4 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m 61.45 24.03 14.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.709 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.72 -176.37 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' B' ' 22' ' ' MET . 63.4 t80 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 120.534 0.207 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.1 149.88 14.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 111.734 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 61.87 89.4 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.273 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.67 -56.94 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 11.1 ptp -65.92 125.34 25.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.463 HG23 ' HA ' ' A' ' 20' ' ' GLN . 31.9 m -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.361 -170.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.21 -54.53 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -79.02 -5.26 53.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.614 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.91 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.154 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.28 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.325 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.7 OUTLIER -63.05 -51.33 67.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.86 -174.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.648 ' HA ' ' HZ3' ' B' ' 32' ' ' LYS . 30.1 m-20 -76.35 -40.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -176.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.88 -37.61 78.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.046 0.45 . . . . 0.0 110.527 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -63.45 -40.89 98.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.648 ' HZ3' ' HA ' ' B' ' 29' ' ' ASP . 38.0 mtmm -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.867 -175.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' A' ' 79' ' ' PRO . 38.1 pt -75.67 -33.27 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.87 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -71.34 -32.23 68.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.436 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 75.6 m -61.24 -31.05 70.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.163 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.14 73.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.384 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' B' ' 83' ' ' ALA . 4.4 pp -72.46 -24.52 61.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 110.608 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.748 ' HA ' ' HE2' ' B' ' 84' ' ' LYS . 9.6 tt -68.05 -38.87 82.95 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 1.008 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.2 OUTLIER -70.44 -57.23 5.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.908 -178.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.2 m -161.33 84.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.98 -21.23 64.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.94 HD12 ' HA ' ' B' ' 56' ' ' CYS . 1.3 mt -126.72 -156.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -173.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.484 ' H ' HG22 ' B' ' 42' ' ' ILE . 41.3 mt-10 -103.43 142.56 34.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 0.0 111.747 -170.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.866 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -130.43 115.12 30.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.482 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.8 m -87.35 142.84 27.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.328 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.848 ' HG2' ' H ' ' B' ' 51' ' ' GLY . 0.0 OUTLIER -83.13 -175.56 5.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.534 0.683 . . . . 0.0 111.702 178.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.26 -23.22 14.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.61 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -165.87 101.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.786 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.18 -85.6 0.1 OUTLIER Glycine 0 C--N 1.317 -0.525 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.363 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.848 ' H ' ' HG2' ' B' ' 47' ' ' GLU . . . 178.65 147.53 7.1 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.866 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -65.71 124.39 22.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.084 0.469 . . . . 0.0 110.735 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -132.47 138.64 47.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.739 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -91.46 133.32 35.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -108.74 104.45 13.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.94 ' HA ' HD12 ' B' ' 42' ' ' ILE . 73.4 m -78.11 86.56 4.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -60.84 -33.27 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.198 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 25.3 p -107.68 -29.58 9.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.482 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.55 33.06 7.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.26 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.12 155.2 31.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.649 0.261 . . . . 0.0 110.468 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -119.85 140.91 50.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.743 HG22 ' HD2' ' B' ' 64' ' ' PRO . 4.6 p -146.71 155.72 48.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.743 ' HD2' HG22 ' B' ' 63' ' ' VAL . 75.0 Cg_exo -51.44 168.85 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.648 2.232 . . . . 0.0 113.291 172.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -73.62 164.3 26.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 81.7 mt 60.85 26.37 16.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 60.72 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.861 -172.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m 57.29 28.13 14.76 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.893 0.854 . . . . 0.0 109.68 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.507 ' HA3' HG21 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.441 -1.017 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.344 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 113.72 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.415 0.447 . . . . 0.0 109.84 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.575 ' HA ' HG21 ' B' ' 81' ' ' VAL . 82.3 m-20 -80.9 4.31 19.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.528 0.68 . . . . 0.0 110.45 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.42 -8.39 58.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.871 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.32 138.14 42.06 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.06 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.88 -15.54 47.98 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.496 . . . . 0.0 112.694 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.439 HG13 HD13 ' B' ' 37' ' ' LEU . 60.9 t -62.99 -36.16 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' B' ' 76' ' ' ASP . 44.0 t -71.91 -35.28 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.015 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.509 ' O ' HG13 ' B' ' 86' ' ' ILE . 25.3 mm -56.89 -50.64 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.485 ' HB3' HD11 ' B' ' 37' ' ' LEU . . . -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -177.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' B' ' 38' ' ' LEU . 84.0 mttt -63.34 -41.4 98.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.287 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -58.54 -42.41 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.947 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.509 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.4 mt -60.34 -50.65 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.383 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.9 -14.55 61.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 111.528 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.9 m -90.11 -4.39 57.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.329 -0.303 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.827 179.661 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' B' ' 89' ' ' SER . 76.7 t80 -135.38 158.88 43.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.312 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -63.48 93.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 178.73 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.49 53.23 0.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.488 175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.416 ' HB3' ' HD1' ' B' ' 19' ' ' PHE . 17.8 mmt -85.24 114.12 22.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.608 0.242 . . . . 0.0 110.425 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.9 p -101.92 -169.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.04 -42.09 65.39 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.377 0.671 . . . . 0.0 111.954 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 p -77.87 -9.69 59.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -22.26 65.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.129 0.49 . . . . 0.0 110.377 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.63 69.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.991 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -51.32 59.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -70.81 -37.38 73.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.1 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.11 -37.62 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.535 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -74.51 -29.08 61.26 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.4 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 34.1 ttmt -53.81 -43.72 69.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.242 0.544 . . . . 0.0 110.083 173.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.658 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 39.2 mt -62.66 -44.28 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.269 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.84 -32.34 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.076 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 61.5 m -58.29 -30.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -62.15 -47.2 85.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.011 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 pp -78.84 -24.73 44.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.35 -31.04 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 35' ' ' THR . 10.3 mtmp? -75.68 -41.8 52.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.461 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 m -152.56 -75.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.316 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.78 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 66.45 -65.18 0.2 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.42 0.688 . . . . 0.0 111.914 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.6 mt -53.15 147.4 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.762 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.26 145.93 30.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 111.134 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -111.4 126.94 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-O 121.346 0.593 . . . . 0.0 111.472 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 53' ' ' HIS . 9.9 m . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 83.6 m-70 . . . . . 0 CA--C 1.52 -0.198 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.38 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -126.24 138.3 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.521 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.2 t -91.81 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -10.79 59.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.455 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.572 HD21 ' HD2' ' A' ' 79' ' ' PRO . 10.3 tp -95.02 -26.94 15.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.026 -171.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.14 -19.28 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.516 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.59 11.22 64.34 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.922 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.96 132.9 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.886 0.343 . . . . 0.0 110.634 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.3 m -112.73 124.89 53.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.057 0.456 . . . . 0.0 111.405 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.56 136.91 19.88 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.548 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 1.5 Cg_endo -44.83 -59.35 1.17 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.506 ' CD1' ' HG ' ' A' ' 66' ' ' LEU . 3.9 t-105 -179.76 -78.65 0.01 OUTLIER 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.777 0.673 . . . . 0.0 109.895 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 65' ' ' TRP . 68.6 mt -109.66 95.43 5.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.387 0.613 . . . . 0.0 111.574 -177.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -132.51 -94.57 0.34 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 172.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -151.92 96.79 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.617 -169.119 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.0 m80 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . -96.09 143.11 27.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -72.47 -16.91 61.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.051 0.453 . . . . 0.0 111.156 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -108.33 4.11 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.869 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 19.6 p -82.42 134.95 47.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.816 -177.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.656 ' HA ' HG22 ' B' ' 33' ' ' ILE . 91.1 Cg_exo -47.4 -30.58 11.69 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.091 3.194 . . . . 0.0 113.903 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 46.9 t -54.73 -39.47 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 111.338 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' SG ' ' A' ' 78' ' ' CYS . 59.2 t -71.75 -44.64 68.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.051 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.84 -41.44 82.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.97 75.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.0 mttt -62.64 -43.56 98.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 177.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.43 -38.06 85.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.752 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.9 mt -72.5 -42.42 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.04 -15.96 61.06 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.462 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.7 m -77.6 83.75 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.921 0.391 . . . . 0.0 110.332 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.43 ' HA ' ' OH ' ' B' ' 18' ' ' TYR . 32.6 t -73.62 87.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.47 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.732 -179.556 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.43 ' OH ' ' HA ' ' A' ' 89' ' ' SER . 10.9 p90 . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.626 ' HA ' ' HB2' ' B' ' 22' ' ' MET . 47.5 m-85 68.65 170.45 0.29 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.766 0.666 . . . . 0.0 111.209 -171.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 73.46 -48.03 0.67 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.558 0.743 . . . . 0.0 110.542 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.09 33.16 3.95 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.626 ' HB2' ' HA ' ' B' ' 19' ' ' PHE . 9.8 ttt -83.5 132.87 34.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.7 p -103.7 -175.6 2.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.37 -39.73 67.46 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.788 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -57.79 -20.79 37.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.99 66.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.378 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.16 73.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.723 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.62 -47.56 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.84 -27.05 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.641 0.258 . . . . 0.0 111.32 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.59 -38.07 75.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 172.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.726 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 89.3 mtt180 -65.21 -38.16 89.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.206 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.02 -55.25 35.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.363 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.656 HG22 ' HA ' ' A' ' 79' ' ' PRO . 31.5 pt -66.01 -38.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.397 -177.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -75.17 -39.49 60.28 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.0 m -62.06 -35.28 78.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.249 -0.282 . . . . 0.0 111.475 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 79' ' ' PRO . . . -68.25 -44.33 75.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.985 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.918 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.5 pp -73.82 -29.08 61.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' B' ' 84' ' ' LYS . 9.1 tt -72.31 -37.75 68.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.073 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 1.012 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.4 OUTLIER -69.38 -57.81 4.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.733 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t -172.72 82.02 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.972 0.891 . . . . 0.0 111.933 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.918 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.21 -11.76 23.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.049 170.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.785 HD12 ' HG2' ' B' ' 57' ' ' LYS . 8.5 mm -98.08 -125.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.252 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -168.73 147.05 4.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.428 . . . . 0.0 110.44 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.666 HD11 ' HB1' ' B' ' 52' ' ' ALA . 8.1 tt -79.56 127.43 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.438 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.19 116.72 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.412 0.625 . . . . 0.0 110.078 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.7 m -91.8 145.82 24.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.863 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.94 151.58 27.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.879 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.32 -33.29 74.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.23 114.92 8.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.789 174.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.38 -92.49 0.17 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.145 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.62 -139.37 2.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.666 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -146.78 135.42 22.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -126.56 121.83 33.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.747 -174.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.645 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 59.0 t30 -82.45 112.63 19.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' B' ' 55' ' ' GLN . 7.2 tt0 -99.12 149.76 22.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.593 -169.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.594 ' HA ' HG13 ' B' ' 42' ' ' ILE . 61.7 m -109.82 117.09 32.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.785 ' HG2' HD12 ' B' ' 42' ' ' ILE . 18.6 ptpt -75.19 7.16 3.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.449 HD21 ' HB1' ' A' ' 36' ' ' ALA . 7.6 mp -109.85 -47.5 3.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 111.697 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 64.2 m -89.74 -9.15 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.98 44.28 97.63 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.78 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.15 163.55 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m -137.68 142.96 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.989 0.423 . . . . 0.0 111.184 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.439 HG11 ' HA2' ' B' ' 69' ' ' GLY . 7.6 p -108.32 130.42 22.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.536 ' HB2' ' CG ' ' B' ' 67' ' ' GLN . 45.4 Cg_exo -56.42 146.36 74.2 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.637 2.225 . . . . 0.0 112.604 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.45 138.07 57.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.288 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt 67.29 22.41 9.6 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.368 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.536 ' CG ' ' HB2' ' B' ' 64' ' ' PRO . 15.1 mm100 -83.95 -71.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 171.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.9 t -175.25 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.962 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.439 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.297 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.414 0.626 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.35 116.21 0.6 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.56 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -82.09 -10.72 59.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.33 0.586 . . . . 0.0 110.28 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.851 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.462 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 84.1 m -78.31 133.83 63.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.658 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.3 Cg_exo -56.62 -30.99 85.55 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.237 2.625 . . . . 0.0 112.981 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 24.7 m -69.68 -30.93 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.79 0.329 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -75.5 -47.2 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.494 ' O ' HG12 ' B' ' 86' ' ' ILE . 10.7 tp -61.16 -35.76 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.401 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -54.65 -43.45 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.071 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.493 ' HG2' HD12 ' B' ' 38' ' ' LEU . 92.6 mttt -61.5 -42.15 98.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.617 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.13 -27.28 65.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.35 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.494 HG12 ' O ' ' B' ' 82' ' ' ILE . 48.3 mm -74.3 -39.25 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.098 0.475 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.726 ' HB2' ' HG2' ' B' ' 31' ' ' ARG . 4.6 pp -89.03 -0.45 57.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.843 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.8 p -53.13 -55.24 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.741 -174.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.457 ' HA ' ' CE1' ' A' ' 18' ' ' TYR . 9.2 t . . . . . 0 C--O 1.235 0.298 0 O-C-N 123.981 0.801 . . . . 0.0 110.31 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -117.28 159.89 21.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -62.62 -11.22 15.54 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.783 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -73.77 -34.71 64.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.864 0.364 . . . . 0.0 110.425 177.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.68 104.81 0.9 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.929 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.446 ' HE3' ' HG3' ' B' ' 22' ' ' MET . 23.8 mmt -91.02 109.25 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 0.0 111.348 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 p -91.94 -70.56 0.68 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.609 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.86 -36.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.839 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -74.95 9.08 2.08 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.88 67.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.602 . . . . 0.0 109.952 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.689 ' HA ' ' CE1' ' B' ' 19' ' ' PHE . . . -68.56 -28.63 67.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.171 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.78 -55.17 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 10.9 t70 -69.99 -38.36 75.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -173.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.61 -40.33 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.017 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 31' ' ' ARG . 24.4 ttt85 -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 37.0 ttmt -53.92 -42.54 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.087 174.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.944 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 42.3 mt -70.04 -46.99 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.731 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -59.98 -32.48 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.012 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.483 ' HA ' HD23 ' A' ' 38' ' ' LEU . 67.4 m -55.03 -29.3 57.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.892 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.89 71.52 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.773 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.9 pp -74.19 -23.85 59.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.941 0.4 . . . . 0.0 110.958 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 35' ' ' THR . 3.2 mm? -73.63 -25.86 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.108 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -80.56 -58.15 3.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.6 p -137.79 -69.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.773 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 68.87 -60.93 0.43 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.009 0.818 . . . . 0.0 112.028 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.4 mt -73.22 142.35 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.203 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' OE2' ' HB2' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -110.73 151.32 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.728 177.022 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.3 pt -102.09 118.79 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 53' ' ' HIS . 21.4 t . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.528 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 93.9 m-70 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -91.23 105.47 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -117.91 143.79 46.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.654 -170.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.545 ' CB ' ' HB2' ' A' ' 59' ' ' CYS . 62.3 m -91.92 111.82 23.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.939 172.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HZ2' ' HB2' ' A' ' 57' ' ' LYS . 4.7 ttmp? -40.29 -50.75 2.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -171.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' H ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -129.83 7.53 5.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 112.166 -173.099 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.545 ' HB2' ' CB ' ' A' ' 56' ' ' CYS . 74.1 m -85.57 -5.55 59.27 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.33 44.8 84.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.914 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.76 138.13 19.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.973 0.416 . . . . 0.0 111.443 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -140.96 130.63 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.35 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.11 143.28 48.73 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HB2' ' HB2' ' A' ' 67' ' ' GLN . 84.1 Cg_exo -46.84 136.86 16.72 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.858 2.372 . . . . 0.0 112.351 173.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -58.37 127.81 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.623 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt 71.96 8.51 6.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.398 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.32 -42.2 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.0 p -144.21 -76.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 111.277 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.955 -178.453 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.41 143.06 30.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -103.81 -22.25 13.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.066 0.46 . . . . 0.0 110.909 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.56 -0.65 51.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.637 0.732 . . . . 0.0 110.414 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -74.51 150.12 86.73 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.196 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.585 ' HB3' ' HG2' ' B' ' 32' ' ' LYS . 47.9 Cg_endo -69.26 -9.79 27.23 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.743 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 HD21 ' A' ' 58' ' ' LEU . 60.4 t -62.1 -38.6 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.283 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 48.4 t -62.93 -46.28 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.024 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.427 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.4 mm -58.08 -46.64 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.735 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -43.38 80.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -61.43 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.806 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 47.0 mt-30 -62.74 -38.78 91.87 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 82' ' ' ILE . 69.4 mt -61.82 -55.2 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.566 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.8 -18.56 63.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.326 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.7 m -81.36 -40.51 23.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.623 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m 62.37 16.47 8.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.624 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.874 -177.372 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' B' ' 19' ' ' PHE . 17.7 t80 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.689 ' CE1' ' HA ' ' A' ' 27' ' ' ALA . 19.8 m-85 74.7 130.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.973 0.796 . . . . 0.0 111.206 -175.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 70.28 -67.4 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.183 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 41.88 3.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.707 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.604 ' SD ' ' HA ' ' B' ' 19' ' ' PHE . 14.5 ptm -111.87 123.64 50.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.687 0.756 . . . . 0.0 110.382 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 60.8 m -138.47 136.14 35.89 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.389 -171.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 66.49 -75.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.971 0.795 . . . . 0.0 112.764 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -73.55 -4.48 34.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.703 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.73 -37.79 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.681 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.96 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.81 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.87 -43.16 25.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -64.41 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.29 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.89 -32.37 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.297 0.57 . . . . 0.0 110.031 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.13 -31.32 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.019 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.585 ' HG2' ' HB3' ' A' ' 79' ' ' PRO . 50.1 tttp -56.94 -54.37 47.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.531 HG22 ' HB2' ' A' ' 79' ' ' PRO . 34.6 pt -72.82 -31.8 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.752 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.65 -30.16 71.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.643 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -54.58 -35.45 63.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.55 97.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.36 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.595 ' HB2' HG13 ' B' ' 80' ' ' VAL . 3.9 pp -81.39 -23.26 37.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.973 0.416 . . . . 0.0 110.946 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.47 -38.04 68.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.77 -51.16 70.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.262 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -160.98 -37.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.747 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.73 -64.37 0.32 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.765 HG13 ' HA ' ' B' ' 56' ' ' CYS . 12.5 mm -107.52 174.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.448 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.64 ' H ' HG22 ' B' ' 42' ' ' ILE . 2.7 pm0 -103.51 158.61 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 0.0 110.792 -176.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.452 ' O ' HD12 ' B' ' 44' ' ' ILE . 2.2 pp -117.42 143.34 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.248 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 m -112.92 128.0 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.914 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -89.65 138.31 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.762 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.94 102.18 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 54.33 -85.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.82 0.7 . . . . 0.0 111.664 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.17 9.49 0.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.7 . . . . 0.0 109.985 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.13 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.268 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.75 -155.55 8.92 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.957 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' HB2' ' B' ' 65' ' ' TRP . . . -145.85 155.15 42.71 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.796 0.331 . . . . 0.0 110.372 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -112.93 123.24 49.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.387 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' B' ' 42' ' ' ILE . 48.6 t-20 -91.58 113.82 26.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.421 ' O ' HG21 ' B' ' 42' ' ' ILE . 7.4 pt20 -113.16 100.76 8.84 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.765 ' HA ' HG13 ' B' ' 42' ' ' ILE . 22.0 p -51.66 123.67 10.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.673 0.749 . . . . 0.0 111.654 -171.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.536 ' H ' HD12 ' B' ' 42' ' ' ILE . 22.1 ttpt -78.69 44.95 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.61 -174.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.515 HD22 HG23 ' B' ' 80' ' ' VAL . 11.4 tp -158.08 -63.18 0.09 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.754 -172.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' B' ' 56' ' ' CYS . 53.0 t -89.89 -37.98 14.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.568 -174.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.82 -1.03 45.06 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.579 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.09 148.46 26.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.723 -0.281 . . . . 0.0 110.308 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 19.5 m -116.27 146.08 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 8.0 p -130.78 136.21 28.56 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 177.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.477 ' HG2' HE21 ' B' ' 67' ' ' GLN . 25.1 Cg_endo -62.62 140.24 80.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.918 2.412 . . . . 0.0 113.018 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.482 ' HB2' ' HB3' ' B' ' 52' ' ' ALA . 22.5 t90 -57.91 146.2 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.591 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 88.6 mt 81.73 -20.81 0.34 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.999 0.919 . . . . 0.0 112.693 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.477 HE21 ' HG2' ' B' ' 64' ' ' PRO . 10.0 tt0 -103.01 91.95 4.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.622 -176.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 21.1 m 63.6 -77.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.461 174.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.441 -177.73 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.08 96.73 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.59 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.76 -23.13 65.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.85 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -77.2 -23.79 51.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 58' ' ' LEU . 95.6 m -63.78 135.7 96.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.944 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 15.3 Cg_exo -33.49 -60.4 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.822 1 C-N-CA 125.44 4.094 . . . . 0.0 115.18 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.595 HG13 ' HB2' ' B' ' 37' ' ' LEU . 89.8 t -63.4 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 111.406 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.0 -41.69 59.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 86' ' ' ILE . 10.5 tp -66.62 -40.94 87.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.766 0.317 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.518 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -60.42 -38.73 85.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.15 -33.74 72.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.449 HE21 ' HA ' ' B' ' 82' ' ' ILE . 44.7 mt-30 -79.12 -33.51 44.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 82' ' ' ILE . 69.0 mt -62.38 -47.04 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.517 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.752 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.2 pp -72.11 -6.04 39.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.118 0.485 . . . . 0.0 111.148 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -103.42 -66.59 0.93 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.238 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.234 0.283 0 C-N-CA 123.765 0.826 . . . . 0.0 111.104 -176.126 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' GLY . 20.8 tp . . . . . 0 C--O 1.238 0.456 0 CA-C-O 121.319 0.58 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.0 t80 60.82 -167.64 0.18 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.05 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' HZ ' ' HB ' ' B' ' 30' ' ' VAL . 96.5 m-85 -78.6 0.47 26.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -78.49 -48.69 14.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 17' ' ' LEU . . . -135.27 68.61 0.53 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.001 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 mmt -64.73 136.06 56.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.113 0.482 . . . . 0.0 110.882 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -114.79 -171.3 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.474 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.94 -52.72 54.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.801 0.44 . . . . 0.0 112.143 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -79.17 10.34 3.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.069 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.25 -11.65 61.05 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.823 0.821 . . . . 0.0 109.737 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.53 57.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.54 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.42 -48.37 17.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.565 -173.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.603 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 26.4 p-10 -81.69 -46.36 14.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 33' ' ' ILE . 84.4 t -63.3 -35.94 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -73.79 -28.88 61.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.806 -0.559 . . . . 0.0 111.352 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 40.6 mtmt -65.18 -39.81 93.4 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 30' ' ' VAL . 35.1 pt -64.13 -34.09 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 83' ' ' ALA . . . -75.08 -32.54 61.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.3 m -72.46 -30.1 64.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.857 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -55.66 -27.28 49.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.382 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.828 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 63.2 mt -60.45 -42.86 97.03 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.609 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.3 mp -77.27 -28.39 53.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.181 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.22 -52.64 38.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.439 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 7.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . -73.39 -22.57 60.22 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.345 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.3 mt -77.89 145.48 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.806 ' HG2' ' HB3' ' B' ' 43' ' ' GLU . 3.8 tp10 -105.82 157.91 17.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 112.323 -168.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.4 mm -117.42 114.59 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.167 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 53' ' ' HIS . 5.5 m . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 95.5 m-70 . . . . . 0 CA--C 1.514 -0.405 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -82.26 105.55 13.43 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 172.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.544 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 0.1 OUTLIER -106.86 116.44 31.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.1 0.476 . . . . 0.0 110.991 -168.296 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.72 90.38 8.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.876 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -73.92 9.46 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.395 -175.231 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD21 ' HB1' ' B' ' 36' ' ' ALA . 7.0 mp -106.57 15.11 26.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' HB2' ' HD2' ' A' ' 74' ' ' HIS . 30.6 t -155.77 -27.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.463 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.56 56.12 2.31 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.526 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.72 133.85 14.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.623 0.249 . . . . 0.0 110.444 -178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.544 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 65.2 p -120.31 152.53 37.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.59 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.6 p -141.46 137.96 17.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.661 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.75 141.07 11.94 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.803 2.335 . . . . 0.0 112.868 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 3.1 t-105 -69.03 160.8 30.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.187 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 3.3 mm? 74.17 -17.84 0.44 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.35 0.66 . . . . 0.0 111.471 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' TRP . 49.2 tt0 -82.15 2.67 30.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.162 0.506 . . . . 0.0 110.295 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.1 m 73.73 -53.43 0.69 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.59 ' HA2' HG11 ' A' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.681 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.671 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.413 ' HE1' HG23 ' A' ' 81' ' ' VAL . 13.4 t-80 . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 99.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.25 -14.04 60.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -160.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -89.48 -3.14 58.5 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.88 153.84 30.84 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.879 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.588 ' HA ' HG22 ' A' ' 82' ' ' ILE . 11.5 Cg_endo -54.52 -19.01 16.53 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.567 2.845 . . . . 0.0 113.775 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.76 -47.04 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.413 HG23 ' HE1' ' A' ' 74' ' ' HIS . 99.5 t -74.37 -39.56 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.769 -175.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 79' ' ' PRO . 11.1 tp -65.87 -35.87 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.095 0.474 . . . . 0.0 109.898 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 34' ' ' ALA . . . -65.57 -39.78 92.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.24 173.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.43 -42.0 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.625 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.09 -43.23 99.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.592 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 82' ' ' ILE . 72.0 mt -62.3 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.32 -5.95 57.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.9 t -93.77 14.31 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -53.07 136.05 36.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.272 -167.549 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 70.87 163.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.65 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 61.93 16.92 8.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.542 0.687 . . . . 0.0 110.086 -166.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.67 149.45 5.81 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 7.1 mmt -150.38 157.7 43.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.931 0.365 . . . . 0.0 110.589 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -99.16 171.03 8.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.621 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.91 -41.0 99.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.977 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.614 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.22 67.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.566 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.53 -37.01 82.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' B' ' 31' ' ' ARG . 8.8 tp10 -68.29 -44.67 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.87 -41.88 86.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.547 ' HB ' ' HZ ' ' A' ' 19' ' ' PHE . 92.5 t -72.41 -38.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.443 ' HD2' ' CD ' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -66.45 -29.86 70.08 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.786 176.508 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.443 ' CD ' ' HD2' ' B' ' 31' ' ' ARG . 12.5 mptt -64.86 -50.48 66.46 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -67.29 -32.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.753 0.311 . . . . 0.0 110.984 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.65 74.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -70.3 -30.63 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.459 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -55.12 -48.33 73.78 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -175.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.647 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.567 HD22 HD21 ' B' ' 87' ' ' LEU . 10.1 mp -80.07 -26.67 39.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 111.539 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -84.3 -58.2 2.85 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 11.6 t -136.04 -1.63 2.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.156 -0.617 . . . . 0.0 112.523 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -62.72 -31.23 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.395 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.431 HG23 ' O ' ' B' ' 55' ' ' GLN . 75.5 mt -93.41 115.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.225 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.806 ' HB3' ' HG2' ' A' ' 43' ' ' GLU . 4.2 tp10 -119.22 155.99 30.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' C ' ' B' ' 53' ' ' HIS . 18.5 tt -103.67 129.12 56.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.54 127.82 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.02 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 37.2 m -89.63 161.27 16.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.104 0.478 . . . . 0.0 111.66 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -90.81 -157.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.91 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.98 -50.27 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.081 0.467 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -154.79 -26.44 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.133 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.51 -35.34 91.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.446 -0.407 . . . . 0.0 114.073 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.76 -149.51 13.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.897 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -144.85 168.33 20.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.65 0.262 . . . . 0.0 110.499 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.41 ' C ' HG13 ' B' ' 44' ' ' ILE . 84.3 m-70 -130.12 113.98 15.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 110.368 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.63 116.76 24.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.431 ' O ' HG23 ' B' ' 42' ' ' ILE . 10.6 pt20 -111.36 115.87 30.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.339 0.59 . . . . 0.0 111.92 -171.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 80.5 m -80.85 91.2 5.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.473 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -54.9 -46.3 74.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.795 -171.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.41 -13.91 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 26.3 m -102.58 -27.59 12.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.783 0.325 . . . . 0.0 110.501 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.17 34.73 22.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.044 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.54 135.82 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.753 0.311 . . . . 0.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -117.25 145.74 43.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.946 0.403 . . . . 0.0 110.597 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 12.7 p -135.5 137.11 25.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' B' ' 67' ' ' GLN . 6.4 Cg_endo -50.88 158.03 3.36 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.633 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -41.38 -64.64 0.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.939 0.896 . . . . 0.0 111.881 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mp -123.63 92.12 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.352 0.596 . . . . 0.0 111.307 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.527 ' HB2' ' HG2' ' B' ' 64' ' ' PRO . 22.1 tt0 -127.06 -54.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.796 172.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.466 HG22 HE21 ' B' ' 67' ' ' GLN . 14.5 t 174.11 152.66 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.871 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 120.365 -0.921 . . . . 0.0 111.543 176.627 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 78' ' ' CYS . . . -78.68 134.44 37.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.3 174.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.86 -23.16 58.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.12 0.486 . . . . 0.0 110.732 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.14 -0.53 41.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.573 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 75' ' ' ALA . 17.8 p -74.97 154.59 86.77 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.439 ' HB3' HG22 ' A' ' 33' ' ' ILE . 15.5 Cg_exo -70.05 -10.81 29.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.0 2.467 . . . . 0.0 113.084 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.8 -45.58 91.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.562 0.22 . . . . 0.0 111.239 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 48.4 t -58.82 -49.86 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.454 ' O ' HG13 ' B' ' 86' ' ' ILE . 7.3 tp -67.7 -45.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -177.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.32 93.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.871 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' B' ' 38' ' ' LEU . 12.0 ptmm? -64.85 -27.59 68.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.993 0.425 . . . . 0.0 110.965 -177.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.23 -41.39 49.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.485 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.3 mt -62.16 -45.01 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 0.0 111.54 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.567 HD21 HD22 ' B' ' 38' ' ' LEU . 4.6 pp -75.46 -5.78 46.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.018 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -92.22 13.15 19.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.393 -178.192 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HG ' ' H ' ' A' ' 22' ' ' MET . 5.0 tt . . . . . 0 C--O 1.231 0.102 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -132.04 -45.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -73.29 -105.78 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.925 0.393 . . . . 0.0 111.108 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -106.53 -32.29 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.78 115.68 0.51 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.841 174.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.753 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 1.3 mpt? -88.93 -173.45 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 172.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.7 p 52.49 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.025 0.828 . . . . 0.0 112.161 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 70.8 -63.61 0.41 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.11 -173.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.5 m -64.64 -26.28 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.357 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -53.77 -40.27 66.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -68.96 -38.77 79.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.739 0.304 . . . . 0.0 111.065 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.9 tp10 -85.3 -32.69 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -173.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.08 -41.38 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.657 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.07 -34.03 49.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.673 ' HG2' ' HA ' ' A' ' 87' ' ' LEU . 89.1 mtt180 -61.15 -42.66 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 12.3 mptt -57.85 -32.32 67.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.059 -177.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.662 ' HA ' ' HB2' ' B' ' 79' ' ' PRO . 53.4 mt -64.48 -47.46 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.194 0.521 . . . . 0.0 110.405 177.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.84 -32.66 59.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.12 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.447 ' OG1' ' HA ' ' A' ' 32' ' ' LYS . 2.6 p -62.01 -30.42 70.94 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -173.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.65 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -72.98 -32.84 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.634 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.39 -27.32 41.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.55 -57.29 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.565 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.45 ' OG1' ' HD3' ' B' ' 57' ' ' LYS . 5.7 t -155.98 90.19 1.2 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.341 1.067 . . . . 0.0 110.823 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.556 ' O ' ' HE2' ' A' ' 57' ' ' LYS . . . -140.89 -36.01 0.47 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.029 -1.442 . . . . 0.0 109.207 172.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.5 mt -70.62 124.56 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -105.31 145.95 30.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 0.0 110.942 -173.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.54 126.6 56.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.679 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 121.132 0.492 . . . . 0.0 110.352 179.219 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.653 0.263 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.74 ' HB3' ' HB ' ' A' ' 63' ' ' VAL . 7.3 t30 -89.75 112.79 24.18 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -109.39 112.66 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.181 0.515 . . . . 0.0 111.696 -174.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -88.61 93.43 9.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.728 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -75.19 0.44 16.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.919 -174.4 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' B' ' 40' ' ' THR . 0.3 OUTLIER -86.59 -55.87 3.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.456 -177.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.7 p -93.96 -29.09 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.41 . . . . 0.0 110.989 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.77 45.52 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.44 134.55 54.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -101.59 134.71 44.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.182 0.515 . . . . 0.0 110.259 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.74 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 57.2 t -123.18 135.75 26.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.635 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' TRP . 29.5 Cg_exo -63.81 0.78 1.78 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.17 2.58 . . . . 0.0 113.396 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.557 ' H ' HG12 ' A' ' 63' ' ' VAL . 70.2 t-105 72.84 151.05 0.11 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.62 0.768 . . . . 0.0 111.149 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.61 -60.55 0.53 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.714 0.806 . . . . 0.0 109.882 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.96 123.2 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.4 t -74.45 -24.14 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.785 0.326 . . . . 0.0 111.017 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.267 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.497 178.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.1 125.08 29.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -13.85 59.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.718 0.295 . . . . 0.0 111.772 -170.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.35 -25.5 33.8 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.608 0.242 . . . . 0.0 111.498 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 81' ' ' VAL . 31.6 p -79.38 146.7 66.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.434 -175.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.548 ' HG2' ' HB2' ' B' ' 36' ' ' ALA . 33.1 Cg_exo -64.02 0.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.621 2.881 . . . . 0.0 113.845 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.0 -31.62 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.035 0.445 . . . . 0.0 110.355 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 78' ' ' CYS . 16.2 m -62.66 -38.62 82.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 110.856 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 32.2 mm -75.03 -39.2 44.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.956 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.8 -51.39 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.665 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.93 -51.55 68.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.593 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 82' ' ' ILE . 2.9 pt20 -61.86 -29.8 70.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.663 -172.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 82' ' ' ILE . 75.6 mt -75.77 -50.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.61 0.243 . . . . 0.0 111.48 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.673 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 4.3 pp -81.61 -10.98 59.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 t -112.23 19.69 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -82.66 88.76 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.194 0.521 . . . . 0.0 110.917 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.293 179.648 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.447 ' HB2' ' HG2' ' B' ' 22' ' ' MET . 39.1 m-85 -86.13 70.72 10.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.181 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 45.87 73.78 0.16 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.845 0.716 . . . . 0.0 112.035 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.35 -47.83 3.81 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.526 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.723 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 80.8 mtp 68.25 9.21 7.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.375 0.67 . . . . 0.0 112.241 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -93.85 -58.59 2.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.329 0.585 . . . . 0.0 110.207 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.26 -55.13 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.312 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -60.57 -27.74 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.372 -174.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.723 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -57.82 -46.34 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.98 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.52 -28.79 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.742 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.536 ' HG3' ' NH2' ' B' ' 31' ' ' ARG . 25.8 tt0 -78.85 -39.2 35.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.376 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.65 -27.19 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.589 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.85 -30.1 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.045 0.45 . . . . 0.0 109.853 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.536 ' NH2' ' HG3' ' B' ' 28' ' ' GLU . 45.6 ttp180 -55.69 -30.15 60.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 174.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -53.04 -55.37 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.895 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 29.2 pt -77.47 -28.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.108 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.566 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.37 -32.36 73.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -73.97 -34.79 64.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.381 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . . . -61.51 -52.63 63.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.554 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.2 pp -62.93 -23.5 67.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.652 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -78.52 -40.14 35.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.435 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -91.9 -38.92 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.773 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.578 HG23 ' HG ' ' A' ' 58' ' ' LEU . 3.0 t -148.06 87.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 111.511 -177.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -158.74 -60.92 0.07 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.91 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.567 HG22 HD21 ' B' ' 54' ' ' ASN . 49.3 mm -75.42 117.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.331 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.16 171.67 7.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 0.0 111.322 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.714 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -137.19 127.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.249 -176.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 53' ' ' HIS . 9.9 m -101.05 111.1 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.963 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.1 p -98.66 123.92 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.501 0.667 . . . . 0.0 112.207 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' B' ' 51' ' ' GLY . 15.0 mm-40 -88.17 116.92 26.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.427 171.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.28 -29.65 70.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.16 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.26 -55.4 8.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.767 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.92 89.26 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.703 -1.237 . . . . 0.0 114.13 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' B' ' 47' ' ' GLU . . . 136.55 123.18 2.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.702 166.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.714 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -106.93 126.28 52.11 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.402 ' HB2' HG23 ' B' ' 45' ' ' VAL . 91.5 m-70 -113.47 109.02 17.99 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.052 -175.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.942 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 3.4 t-20 -91.66 115.61 28.19 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 173.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.437 ' O ' HG23 ' B' ' 42' ' ' ILE . 40.7 mt-30 -101.98 119.25 38.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 0.0 112.034 -168.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.21 79.22 3.99 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.45 ' HD3' ' OG1' ' A' ' 40' ' ' THR . 15.6 ptpt -70.11 -1.54 10.3 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.212 -169.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.77 -23.81 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.632 0.253 . . . . 0.0 111.388 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.77 -53.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.33 63.39 0.14 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.723 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.4 147.17 45.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 25.5 m -125.93 124.64 41.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.942 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 72.3 t -107.46 131.04 22.01 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.694 178.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 21.1 Cg_exo -67.65 -4.34 11.95 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.993 2.462 . . . . 0.0 112.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.805 ' H ' HG12 ' B' ' 63' ' ' VAL . 68.9 t-105 65.98 160.41 0.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.116 0.566 . . . . 0.0 111.347 178.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp 72.74 -15.38 0.51 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.884 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -82.72 35.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.582 0.23 . . . . 0.0 110.714 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m 73.07 -47.46 0.67 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.061 0.545 . . . . 0.0 111.308 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.508 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -54.49 131.63 43.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.766 0.666 . . . . 0.0 111.94 -176.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -70.31 -13.79 62.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.707 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.26 -1.08 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.854 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 71.2 m -97.39 143.28 25.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.662 ' HB2' ' HA ' ' A' ' 33' ' ' ILE . 33.3 Cg_endo -63.94 -9.28 18.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.936 2.424 . . . . 0.0 112.485 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' B' ' 84' ' ' LYS . 44.4 t -57.76 -42.73 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.781 177.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.436 HG12 ' O ' ' B' ' 78' ' ' CYS . 7.1 p -66.36 -39.79 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.23 0.538 . . . . 0.0 110.239 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 86' ' ' ILE . 37.7 mm -59.41 -52.82 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.426 177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.43 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' B' ' 80' ' ' VAL . 6.2 mptp? -63.57 -38.78 92.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.273 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 81' ' ' VAL . 47.4 mt-30 -62.97 -41.24 99.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 82' ' ' ILE . 76.0 mt -67.91 -46.39 82.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.421 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.566 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.6 pp -71.44 -21.2 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.182 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -84.16 -71.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.236 0.39 0 C-N-CA 123.266 0.626 . . . . 0.0 111.945 179.694 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' ' 22' ' ' MET . 3.8 t80 -135.26 173.12 12.07 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.984 -175.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CZ ' HG21 ' B' ' 30' ' ' VAL . 69.8 m-85 -76.12 62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.471 -173.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -129.06 -36.91 1.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.802 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.12 45.35 0.67 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.406 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 18' ' ' TYR . 37.2 mtt -71.28 158.28 36.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.07 0.462 . . . . 0.0 111.224 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 m -145.0 -47.41 0.23 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.561 -171.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -151.48 -60.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -63.12 -14.31 47.05 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -170.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -56.62 -35.28 68.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.774 0.321 . . . . 0.0 111.588 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.77 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.425 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.67 -45.99 90.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.41 -31.19 24.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 26' ' ' ALA . 73.7 t -61.9 -48.26 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.87 -29.44 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.189 177.597 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.1 ttmt -59.65 -51.85 68.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.985 -177.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -72.32 -33.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.203 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -65.51 -37.96 88.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -62.84 -47.87 81.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.421 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.4 pp -72.6 -29.6 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 7.0 tp -67.97 -33.04 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.597 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 52.5 mtpt -74.54 -34.01 62.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.503 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -94.75 -40.23 9.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HA ' ' HD3' ' A' ' 57' ' ' LYS . . . -82.91 -9.11 59.46 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.617 0.246 . . . . 0.0 111.434 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.3 mt -128.27 87.5 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -142.05 148.52 38.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.529 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 54' ' ' ASN . 23.8 pt -82.7 122.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.999 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HE22 ' A' ' 55' ' ' GLN . 21.0 m . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 N--CA 1.459 -0.016 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.658 ' HB2' HG22 ' A' ' 44' ' ' ILE . 7.6 t30 -96.22 118.97 33.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 0.0 110.341 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.794 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 1.7 mp0 -106.65 138.95 41.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.1 t -94.68 92.99 7.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 166.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 41' ' ' ALA . 28.0 mtpp -52.61 -42.67 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -166.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.461 HD22 HG23 ' A' ' 80' ' ' VAL . 6.8 mp -77.68 -16.27 58.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -175.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 74' ' ' HIS . 82.6 m -97.34 -27.76 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.883 0.373 . . . . 0.0 110.548 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.96 32.58 44.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.102 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.7 143.05 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.794 ' HB3' ' HG3' ' A' ' 55' ' ' GLN . 5.4 p -129.86 140.55 50.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.435 . . . . 0.0 110.926 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.91 140.06 16.75 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -50.02 142.91 25.97 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 122.844 2.363 . . . . 0.0 112.406 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.498 ' H ' ' HE3' ' A' ' 65' ' ' TRP . 2.0 p90 -57.28 -21.98 38.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.332 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.458 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.03 -38.91 89.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.973 -173.626 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.79 -102.12 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t 175.08 148.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.283 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.305 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 p-80 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.26 105.66 17.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.591 ' HA ' HG21 ' A' ' 81' ' ' VAL . 14.2 m-20 -73.2 -6.85 48.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.342 0.591 . . . . 0.0 111.084 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.8 -30.29 65.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.833 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.2 p -73.04 146.43 87.32 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.419 . . . . 0.0 111.314 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HB2' HG22 ' B' ' 33' ' ' ILE . 35.1 Cg_endo -65.32 -11.18 29.0 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.022 2.481 . . . . 0.0 113.149 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.461 HG23 HD22 ' A' ' 58' ' ' LEU . 61.0 t -63.86 -39.4 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.267 0.555 . . . . 0.0 109.923 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 76' ' ' ASP . 38.6 t -70.45 -35.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.058 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.3 mm -59.74 -54.61 32.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.042 175.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.86 87.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.27 -45.53 90.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.968 0.414 . . . . 0.0 110.454 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.0 mt -64.18 -52.9 50.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.575 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.38 -21.02 65.63 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.612 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.567 ' HB3' ' HG2' ' A' ' 90' ' ' ARG . 61.7 m -79.89 -34.0 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.745 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.1 m 58.76 36.49 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 111.292 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 16.7 ptm180 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.586 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.419 ' HD1' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -73.8 2.44 8.38 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -98.41 102.78 14.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.062 0.458 . . . . 0.0 110.266 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . 102.88 -75.44 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.081 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' B' ' 21' ' ' GLY . 19.1 mmt 67.39 109.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.368 0.604 . . . . 0.0 111.139 -175.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.9 p -84.18 45.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -173.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t70 72.58 -54.03 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 173.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -57.92 -20.04 34.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.427 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.198 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.39 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.245 0.545 . . . . 0.0 110.222 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 20.8 mm-40 -67.91 -28.61 67.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.304 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.01 -44.6 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 110.835 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.463 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 84.6 t -66.34 -30.78 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 110.643 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.45 -32.5 74.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.314 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 64.4 mttp -73.56 -43.05 60.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.263 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.488 HG22 ' HB2' ' A' ' 79' ' ' PRO . 37.5 pt -65.43 -32.82 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 83' ' ' ALA . . . -69.3 -38.77 78.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.441 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.6 m -67.31 -29.27 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -54.42 -37.82 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.407 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.721 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.8 pp -73.69 -24.62 59.97 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.968 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.43 -26.95 52.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.111 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.444 ' HB3' ' HE3' ' B' ' 39' ' ' LYS . 27.8 mmmt -68.2 -55.32 12.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.087 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 8.3 t -175.25 83.02 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.397 1.094 . . . . 0.0 111.036 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.721 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -113.29 -37.82 4.59 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.15 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HE2' ' A' ' 57' ' ' LYS . 32.7 mt -71.1 136.57 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.866 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -117.42 148.03 42.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.44 . . . . 0.0 110.419 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -106.97 121.9 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.149 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.555 HG23 ' HB2' ' B' ' 53' ' ' HIS . 14.1 m -87.63 115.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -92.53 159.4 15.52 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.034 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.572 ' HG3' ' HA3' ' B' ' 51' ' ' GLY . 36.7 mt-10 -72.13 170.88 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.496 172.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -66.21 -38.78 88.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.83 -50.64 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.985 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.72 -81.87 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.572 ' HA3' ' HG3' ' B' ' 47' ' ' GLU . . . 54.19 -175.31 0.46 Allowed Glycine 0 N--CA 1.439 -1.14 0 CA-C-O 121.703 0.613 . . . . 0.0 114.516 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 51' ' ' GLY . . . 172.5 101.55 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.355 -1.423 . . . . 0.0 110.62 171.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.555 ' HB2' HG23 ' B' ' 45' ' ' VAL . 26.8 m-70 -113.03 110.51 20.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.007 0.432 . . . . 0.0 109.996 174.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.621 ' HB3' ' HD2' ' B' ' 64' ' ' PRO . 6.0 t30 -98.33 106.58 18.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.524 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -127.37 146.79 50.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' B' ' 61' ' ' ALA . 68.0 m -102.08 136.41 41.97 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.025 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -80.41 22.41 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.688 HD23 ' HD2' ' B' ' 79' ' ' PRO . 6.5 mp -104.26 -92.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.246 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' B' ' 74' ' ' HIS . 8.1 p -91.66 4.0 53.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.329 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.65 40.5 6.75 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.861 -176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' B' ' 56' ' ' CYS . . . -64.19 145.31 56.19 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 t -100.26 -170.47 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 111.848 -166.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.737 HG12 ' H ' ' B' ' 65' ' ' TRP . 58.7 t -95.2 123.13 58.03 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.784 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' B' ' 54' ' ' ASN . 97.8 Cg_endo -89.46 5.35 4.81 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.898 2.398 . . . . 0.0 112.502 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.737 ' H ' HG12 ' B' ' 63' ' ' VAL . 14.5 t-105 -77.1 -171.41 2.01 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.01 -9.22 58.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.19 -168.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.0 110.661 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.7 m -71.57 93.44 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.449 0.642 . . . . 0.0 110.459 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.649 ' HA3' ' O ' ' B' ' 63' ' ' VAL . . . . . . . . 0 N--CA 1.443 -0.84 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.247 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . 0.572 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 14.4 p80 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.228 0.537 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.602 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -84.31 147.64 27.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.999 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.25 -4.32 59.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.564 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -94.3 -6.1 45.19 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.518 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 89.2 m -65.37 141.65 98.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.688 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.9 Cg_exo -57.11 -16.41 21.25 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.233 2.622 . . . . 0.0 113.273 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 89.9 t -64.67 -43.67 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.191 0.52 . . . . 0.0 109.905 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.98 -39.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.572 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.43 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.1 mm -62.21 -47.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.412 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 34' ' ' ALA . . . -54.83 -44.94 74.34 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 84.6 mttt -56.51 -50.21 72.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.559 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.81 -27.88 69.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.766 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.8 mt -75.69 -46.64 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 111.093 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.3 -15.73 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.79 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 64.0 m -84.39 90.82 7.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 111.312 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.496 0.665 . . . . 0.0 109.684 173.223 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD12 HG22 ' A' ' 23' ' ' THR . 42.1 mt . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -70.68 167.78 17.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.878 -172.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 20' ' ' GLN . 65.7 m-85 -55.18 150.93 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.138 -173.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' B' ' 22' ' ' MET . 29.9 tt0 79.16 -35.55 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.968 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.82 48.41 0.94 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -94.8 -178.77 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.838 0.351 . . . . 0.0 110.973 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.486 HG22 HD12 ' A' ' 17' ' ' LEU . 15.1 t -157.2 -165.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.979 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.64 -58.31 8.03 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.164 0.586 . . . . 0.0 112.456 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 m -62.13 -36.48 81.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.53 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.84 65.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 111.723 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.03 73.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 7.5 tp10 -75.24 -37.33 61.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.934 -174.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 7.1 m-20 -72.17 -36.43 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.22 -39.41 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 0.0 109.585 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.93 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 58.6 ttt180 -61.38 -38.01 85.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.289 174.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.5 ttmt -58.43 -43.9 88.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.845 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 58.4 mt -61.15 -46.66 96.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.446 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -31.95 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.466 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -72.32 -34.58 68.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.34 68.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 40.8 mt -62.59 -29.48 70.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.7 -176.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.74 -31.59 69.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 39' ' ' LYS . 26.3 mtpp -92.43 -57.14 2.78 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.003 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 m -116.29 41.11 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.139 0.495 . . . . 0.0 111.659 -169.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -141.78 21.26 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.044 0.45 . . . . 0.0 110.278 172.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.9 109.44 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.539 ' CD ' ' HZ3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -108.81 161.71 14.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.699 0.761 . . . . 0.0 112.26 -172.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -119.76 126.1 74.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.803 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 121.245 0.545 . . . . 0.0 110.33 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 120.44 0.162 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.525 HD22 ' HB ' ' A' ' 63' ' ' VAL . 6.4 t30 -81.4 105.94 12.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 175.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -123.65 133.96 53.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.27 0.557 . . . . 0.0 112.004 -166.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.78 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 4.9 p -81.84 113.23 19.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.991 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HZ3' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -61.58 -14.5 30.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.841 -176.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -140.21 91.44 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 110.268 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.78 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 44.9 t 168.4 -38.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.59 24.45 39.13 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.612 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.54 147.55 45.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.728 0.299 . . . . 0.0 111.294 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -107.57 127.55 53.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.238 0.542 . . . . 0.0 110.474 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' A' ' 54' ' ' ASN . 65.0 t -101.25 140.94 21.68 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.398 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.51 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 9.3 Cg_endo -53.37 135.18 59.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.581 2.187 . . . . 0.0 112.101 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.447 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 25.4 t-105 -62.73 144.09 56.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.665 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 95.3 mt 75.82 30.18 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 124.094 0.871 . . . . 0.0 110.888 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -111.3 165.58 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.657 173.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.1 m -61.94 -38.03 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.757 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.87 -179.61 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.744 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 92.5 m-70 . . . . . 0 C--O 1.233 0.187 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 78' ' ' CYS . . . -87.47 172.91 9.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.234 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.7 -33.04 71.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.795 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.96 16.09 12.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.62 0.724 . . . . 0.0 109.338 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.2 t -54.48 115.01 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.921 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.577 ' HG2' HD22 ' A' ' 58' ' ' LEU . 54.0 Cg_exo -54.69 -28.28 55.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.246 2.631 . . . . 0.0 112.462 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 61.1 t -59.33 -34.76 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 176.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.6 t -73.11 -38.43 55.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.117 0.484 . . . . 0.0 110.063 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' B' ' 29' ' ' ASP . 48.3 mm -65.96 -41.81 90.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.024 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -57.46 -42.64 82.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.235 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 88' ' ' SER . 68.4 mttm -58.31 -37.29 74.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.426 . . . . 0.0 110.98 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -71.03 -38.98 72.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.952 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.4 mt -71.62 -40.34 70.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.632 -178.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.93 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -80.98 -1.11 42.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.074 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.5 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 1.6 t -92.16 176.39 6.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.215 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 p 177.33 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.323 173.842 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.9 p90 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -74.16 -21.88 59.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.729 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.84 -47.94 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 109.838 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.29 54.23 3.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.424 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 51.8 tpp -109.6 143.63 39.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.578 0.227 . . . . 0.0 110.536 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -148.31 107.86 3.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.093 0.473 . . . . 0.0 109.931 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.21 -167.98 0.17 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.656 -175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.599 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 51.2 m 72.7 -41.94 0.52 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -57.32 -46.84 82.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.599 ' OE2' ' HA ' ' B' ' 25' ' ' THR . 41.1 mt-10 -57.72 -49.9 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.255 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.807 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 7.4 m-20 -88.71 -25.1 22.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 26' ' ' ALA . 43.0 t -60.4 -38.36 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 109.961 175.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -61.93 -28.74 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.741 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.807 ' HD3' ' HA ' ' B' ' 29' ' ' ASP . 2.9 mptm? -56.18 -55.72 29.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.805 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 pt -74.17 -34.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.74 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.44 -39.95 95.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.263 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' B' ' 39' ' ' LYS . 27.0 m -74.25 -36.07 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 0.0 110.412 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.8 72.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.599 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.841 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.1 pp -70.52 -24.29 62.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.305 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.559 ' HG ' ' HE2' ' B' ' 84' ' ' LYS . 7.9 tt -77.24 -36.19 54.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.197 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 35' ' ' THR . 48.6 mtpt -85.13 -44.68 12.76 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.242 -175.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.536 ' HB ' ' HG2' ' A' ' 57' ' ' LYS . 4.2 m -158.86 90.67 1.0 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.074 0.464 . . . . 0.0 109.988 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -123.67 -28.25 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.868 HD13 HD21 ' B' ' 54' ' ' ASN . 1.2 pp -104.69 175.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.94 147.0 32.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.605 0.717 . . . . 0.0 111.658 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 1.145 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -112.13 120.41 62.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.876 172.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.58 122.16 52.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.174 0.511 . . . . 0.0 110.262 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 11.4 p -80.57 153.23 28.17 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.216 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -72.15 178.07 4.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -50.12 -51.0 46.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.281 0.562 . . . . 0.0 109.53 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -171.63 107.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.951 168.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.96 -80.49 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.026 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.45 -161.23 12.43 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.702 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 1.145 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -145.38 153.35 41.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.311 -0.444 . . . . 0.0 110.389 -176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -133.21 110.99 10.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.756 0.312 . . . . 0.0 110.421 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.868 HD21 HD13 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -103.54 115.22 30.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -178.663 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -110.04 158.23 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.824 ' HA ' HG21 ' B' ' 42' ' ' ILE . 78.5 m -122.18 103.96 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.2 62.21 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.677 -174.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tp -162.72 -64.38 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.06 13.26 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.254 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.15 56.33 25.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.328 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.31 150.27 38.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -143.43 153.69 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 14.2 p -133.07 139.28 33.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 39.8 Cg_endo -68.0 0.03 4.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.93 2.42 . . . . 0.0 113.436 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' B' ' 66' ' ' LEU . 30.4 t-105 70.4 149.72 0.08 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.726 0.641 . . . . 0.0 110.752 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' B' ' 65' ' ' TRP . 53.1 tp 78.11 -47.42 0.46 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.365 0.666 . . . . 0.0 111.639 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -43.68 94.87 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 109.935 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -163.2 159.77 23.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.966 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 177.242 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 121.042 0.449 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.5 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -107.97 -21.57 12.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.764 0.316 . . . . 0.0 111.257 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -91.36 -6.33 53.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.006 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 80.8 m -77.24 132.62 69.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.971 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -47.88 -44.32 27.47 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.805 3.003 . . . . 0.0 113.947 -175.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.652 HG13 HD13 ' B' ' 37' ' ' LEU . 78.1 t -58.4 -43.83 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.939 0.4 . . . . 0.0 110.851 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.475 HG12 HE22 ' B' ' 85' ' ' GLN . 4.6 t -74.22 -35.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.395 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.8 mm -52.81 -45.98 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.07 0.462 . . . . 0.0 110.096 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 -36.27 74.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.826 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . 0.559 ' HE2' ' HG ' ' B' ' 38' ' ' LEU . 90.9 mttt -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.475 HE22 HG12 ' B' ' 81' ' ' VAL . 1.1 mp0 -59.42 -37.11 77.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 74.5 mt -70.85 -46.91 66.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.55 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.74 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.5 pp -72.51 -14.13 61.58 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 67.5 m -79.21 55.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 111.345 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.631 176.15 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.1 165.91 25.05 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 m -139.01 102.08 4.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.964 0.382 . . . . 0.0 110.949 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t 68.8 163.27 0.22 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.458 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -161.8 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.61 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -115.75 146.68 41.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -87.59 111.03 20.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.822 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.497 ' C ' ' H ' ' A' ' 10' ' ' HIS . 32.6 m170 -86.62 1.84 50.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -76.2 36.87 0.15 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.843 0.83 . . . . 0.0 109.323 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' A' ' 8' ' ' HIS . 51.1 t-80 -96.31 -9.96 28.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.807 -175.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -54.77 101.19 0.04 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.624 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -107.76 87.84 2.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.863 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.83 66.99 0.35 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.964 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -91.39 145.06 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.674 0.273 . . . . 0.0 110.514 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' HB3' HD23 ' A' ' 17' ' ' LEU . 24.7 mm-40 -61.77 143.47 56.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.981 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -89.26 85.27 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 15' ' ' GLU . 2.6 mm? -115.42 -165.26 1.01 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -59.92 -60.75 3.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HZ ' ' HA ' ' B' ' 27' ' ' ALA . 63.8 m-85 -85.94 62.59 7.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 49.87 -101.53 0.09 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.765 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.24 57.77 4.24 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.936 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 16.5 ttt -75.59 93.58 3.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.981 0.896 . . . . 0.0 111.461 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -172.72 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.968 -1.469 . . . . 0.0 108.291 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -148.75 -35.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.227 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -72.71 -16.19 61.67 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.936 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -51.69 -42.3 62.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.862 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -29.69 59.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.871 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.679 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 35.8 mm-40 -68.71 -55.41 11.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.752 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.03 -44.05 87.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.799 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG12 HG21 ' A' ' 86' ' ' ILE . 55.0 t -68.3 -37.33 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 1.09 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 35.5 ttp-105 -67.21 -33.18 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 56.8 mttm -57.66 -48.64 78.91 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.147 0.499 . . . . 0.0 109.806 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.655 HG22 HD23 ' A' ' 37' ' ' LEU . 44.0 mt -60.04 -52.12 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.354 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.33 78.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.621 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -65.3 -46.21 81.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.489 . . . . 0.0 110.864 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.354 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.655 HD23 HG22 ' A' ' 33' ' ' ILE . 4.5 pp -65.39 -23.99 67.1 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -176.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.0 tt -80.12 -56.95 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 50.7 mtpt -59.98 -35.86 75.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -172.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.671 ' HB ' ' CB ' ' B' ' 57' ' ' LYS . 75.7 p -104.26 12.23 33.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.612 ' HB1' ' HD3' ' A' ' 57' ' ' LYS . . . -131.01 37.15 3.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.88 0.371 . . . . 0.0 111.073 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.76 123.59 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -106.34 128.5 54.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.463 0.649 . . . . 0.0 111.095 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 pt -82.69 112.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.815 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 m -92.36 127.67 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -98.93 123.54 43.28 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.531 0.681 . . . . 0.0 109.667 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.87 132.89 53.59 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.781 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.28 -22.71 35.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.407 0.622 . . . . 0.0 109.855 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -92.38 2.04 56.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.181 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.58 -102.75 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.017 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.29 -156.56 10.39 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.86 123.09 29.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.799 0.3 . . . . 0.0 110.415 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -121.67 143.33 49.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.548 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 49.0 t-20 -94.73 108.85 20.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.1 128.27 39.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 61' ' ' ALA . 79.4 m -73.22 152.69 40.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.772 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.612 ' HD3' ' HB1' ' A' ' 41' ' ' ALA . 42.8 pttt -38.0 -56.27 1.16 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD23 ' HD2' ' A' ' 79' ' ' PRO . 11.0 mp -92.38 15.02 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.0 m 63.56 11.56 5.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.507 0.323 . . . . 0.0 111.665 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.752 ' HA2' ' HB3' ' A' ' 75' ' ' ALA . . . -74.83 -10.24 83.45 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.751 -177.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB1' HG21 ' A' ' 72' ' ' ILE . . . -152.58 132.39 13.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -136.3 134.96 38.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.867 0.365 . . . . 0.0 110.332 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 8.7 p -144.7 141.91 18.29 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.239 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.16 146.98 8.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.553 2.169 . . . . 0.0 112.162 173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -65.94 -9.2 27.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 111.528 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.49 -21.48 66.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.183 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 65.03 96.61 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.897 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -99.88 -43.42 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.06 -50.88 4.38 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.701 171.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.98 -55.95 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.782 0.325 . . . . 0.0 111.467 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -90.1 93.96 9.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.63 0.728 . . . . 0.0 111.045 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.491 HG21 ' HB1' ' A' ' 61' ' ' ALA . 61.2 mt -137.23 139.89 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.143 176.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -71.96 -170.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.06 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.414 ' HE2' ' HB1' ' A' ' 95' ' ' ALA . 8.5 p80 -143.76 130.53 20.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.745 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.752 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -75.06 109.2 8.34 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' HA ' HG11 ' A' ' 81' ' ' VAL . 21.9 t70 -65.52 -30.55 71.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.17 -167.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.28 -23.64 47.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.471 . . . . 0.0 111.447 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 75.5 m -83.69 140.51 41.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.955 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 27.6 Cg_exo -63.52 0.77 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.508 2.805 . . . . 0.0 113.047 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.426 HG21 ' HA3' ' A' ' 60' ' ' GLY . 46.5 t -64.19 -30.19 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.911 0.386 . . . . 0.0 110.265 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG11 ' HA ' ' A' ' 76' ' ' ASP . 29.1 m -57.36 -47.3 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.004 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.529 ' O ' HG13 ' A' ' 86' ' ' ILE . 10.6 tp -72.35 -36.77 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 110.52 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.257 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.11 -44.94 94.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.848 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -57.97 -37.49 74.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.416 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.67 HG12 ' HE1' ' B' ' 19' ' ' PHE . 75.5 mt -73.95 -50.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.628 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.09 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -76.88 -13.49 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.4 t -91.94 -60.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.6 p 50.42 29.27 3.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.504 0.722 . . . . 0.0 112.031 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -131.87 134.44 25.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.719 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.87 100.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.099 2.533 . . . . 0.0 112.786 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -157.69 146.8 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 tp 66.35 106.73 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.632 0.583 . . . . 0.0 111.873 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.611 ' HD2' HG13 ' A' ' 96' ' ' VAL . 15.6 p-80 -87.6 -33.23 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.178 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' HB1' ' HE2' ' A' ' 74' ' ' HIS . . . 47.72 84.68 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 173.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.611 HG13 ' HD2' ' A' ' 94' ' ' HIS . 15.9 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.435 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ptp . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.55 -69.15 2.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.767 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m 69.52 -69.1 0.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.261 0.624 . . . . 0.0 112.318 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.4 p -85.34 83.68 7.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.033 0.444 . . . . 0.0 111.62 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' B' ' 6' ' ' HIS . 11.3 p80 -131.76 2.24 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 5' ' ' HIS . 8.7 t-160 175.08 46.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.466 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -131.64 153.96 49.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.572 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -114.76 83.68 1.94 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.044 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 67.86 118.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.559 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -73.14 -43.58 61.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -172.95 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.027 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m 61.33 -166.02 0.21 Allowed 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.877 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.41 -154.26 8.58 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.42 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -155.34 178.6 10.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.684 0.242 . . . . 0.0 110.762 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 60.09 72.44 0.52 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.928 0.767 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' B' ' 20' ' ' GLN . 40.1 m-80 -144.26 -75.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.459 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -123.18 -175.3 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.626 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -58.81 -50.99 71.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.694 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.67 ' HE1' HG12 ' A' ' 86' ' ' ILE . 19.8 m-85 -101.89 65.9 1.02 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.201 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' B' ' 16' ' ' ASN . 36.8 tt0 61.56 -90.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.35 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.59 -36.85 4.69 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.72 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 22.6 ttt 70.55 -31.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.167 0.987 . . . . 0.0 113.098 173.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -67.19 -15.07 63.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.927 0.394 . . . . 0.0 110.942 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -149.19 -49.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.28 -13.2 61.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.72 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -60.74 -40.31 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 111.614 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HA ' ' HZ ' ' A' ' 19' ' ' PHE . . . -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.199 -171.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.03 -50.83 66.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.696 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.85 -35.69 67.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 26' ' ' ALA . 74.2 t -63.19 -44.85 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.21 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.092 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' B' ' 31' ' ' ARG . 57.5 tptt -63.77 -50.58 68.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.576 0.227 . . . . 0.0 110.389 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.82 -28.15 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.745 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 83' ' ' ALA . . . -68.64 -32.83 72.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 176.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -69.4 -29.31 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.4 -24.87 47.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.317 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' B' ' 41' ' ' ALA . 82.1 mt -60.27 -44.63 95.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.542 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 38' ' ' LEU . 6.4 mp -78.72 -25.98 44.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.238 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.39 -52.46 64.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.629 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.414 HG21 ' HB2' ' A' ' 57' ' ' LYS . 10.0 t -152.67 -12.92 0.17 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' B' ' 37' ' ' LEU . . . -70.89 -32.88 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.999 -0.438 . . . . 0.0 111.067 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -85.73 129.51 37.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.597 ' HG2' ' HE3' ' B' ' 57' ' ' LYS . 15.3 pt-20 -163.65 -179.0 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.423 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 24.7 pt -99.41 136.31 31.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.937 0.398 . . . . 0.0 111.244 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 m -88.23 139.82 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -78.05 150.29 33.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.266 0.555 . . . . 0.0 111.26 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.407 ' HB2' ' C ' ' B' ' 51' ' ' GLY . 2.2 mm-40 -89.1 170.8 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.695 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -95.82 -28.14 14.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.5 -61.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.718 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.47 68.6 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.77 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' B' ' 47' ' ' GLU . . . -178.22 -141.96 4.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' B' ' 44' ' ' ILE . . . -162.56 172.15 15.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.66 138.82 47.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 48.6 t-20 -83.86 106.58 15.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.222 0.534 . . . . 0.0 111.032 -175.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.55 154.68 38.51 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 164.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.671 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -67.21 -3.43 7.75 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.044 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.479 ' HB2' ' SG ' ' B' ' 78' ' ' CYS . 5.2 mp -128.66 -96.75 0.39 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 172.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.935 ' HB2' ' HB2' ' B' ' 78' ' ' CYS . 47.8 m -144.26 6.01 1.29 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 178.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . 0.465 ' HA2' HG23 ' B' ' 81' ' ' VAL . . . -63.03 -22.69 65.1 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.072 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.434 ' HB1' ' CD1' ' B' ' 72' ' ' ILE . . . -155.9 139.8 16.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' B' ' 73' ' ' LYS . 7.3 t -166.45 133.5 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.615 0.245 . . . . 0.0 110.614 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 9.1 p -176.81 149.18 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 90.6 Cg_exo -45.03 127.18 8.38 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 121.999 1.8 . . . . 0.0 111.145 169.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.537 ' HA ' ' HB2' ' B' ' 54' ' ' ASN . 30.4 p-90 -59.85 -28.35 67.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.27 -169.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.86 17.34 22.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.228 0.537 . . . . 0.0 110.721 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' B' ' 68' ' ' THR . 8.6 tt0 -111.89 113.27 25.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.466 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.655 HG23 ' H ' ' B' ' 69' ' ' GLY . 3.8 t 45.95 -83.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.793 1.237 . . . . 0.0 113.715 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.655 ' H ' HG23 ' B' ' 68' ' ' THR . . . 86.94 -9.57 71.67 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.589 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.5 -62.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -97.76 69.43 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.605 0.717 . . . . 0.0 109.506 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.434 ' CD1' ' HB1' ' B' ' 61' ' ' ALA . 18.5 tt -59.33 132.69 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.109 -174.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' B' ' 62' ' ' SER . 81.8 tttt -68.26 146.65 53.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.143 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -124.54 139.29 54.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.336 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.698 ' HB3' ' HB3' ' B' ' 59' ' ' CYS . . . -103.06 114.71 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.59 1.82 15.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -164.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.98 -2.53 37.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.075 0.464 . . . . 0.0 110.45 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.935 ' HB2' ' HB2' ' B' ' 59' ' ' CYS . 50.5 t -110.41 134.5 20.81 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.783 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.59 ' O ' HG22 ' B' ' 82' ' ' ILE . 23.2 Cg_exo -65.51 -6.21 13.16 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.269 2.646 . . . . 0.0 113.047 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.647 HG13 HD13 ' B' ' 37' ' ' LEU . 94.4 t -75.39 -29.71 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.2 0.524 . . . . 0.0 110.235 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.465 HG23 ' HA2' ' B' ' 60' ' ' GLY . 63.9 t -70.25 -38.73 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.59 HG22 ' O ' ' B' ' 79' ' ' PRO . 7.2 tp -57.24 -36.97 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.138 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 34' ' ' ALA . . . -59.09 -44.23 91.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.146 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.14 -44.15 92.06 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.048 0.452 . . . . 0.0 110.323 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.08 -36.24 77.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.8 mt -60.54 -50.94 78.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.93 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.68 -16.96 61.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -84.57 -31.13 24.51 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.651 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.548 ' O ' ' HG2' ' B' ' 90' ' ' ARG . 50.0 m -71.31 -53.41 14.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.815 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' B' ' 89' ' ' SER . 31.1 ptt180 55.22 163.74 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.767 0 O-C-N 124.783 1.302 . . . . 0.0 113.581 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.12 127.42 18.37 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.372 2.048 . . . . 0.0 111.164 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -103.72 126.43 50.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.034 0.445 . . . . 0.0 111.561 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.41 108.18 19.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -92.41 105.69 17.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.06 155.18 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.477 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.979 176.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.607 0.241 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.89 119.01 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.216 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -101.38 2.74 39.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.541 . . . . 0.0 110.613 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.0 t -111.07 124.64 52.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -146.57 142.28 27.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.765 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 9' ' ' HIS . 20.8 m-70 -82.44 149.17 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.33 -11.83 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.546 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 93.5 m-70 -125.09 -68.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.739 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 6' ' ' HIS . 21.2 p80 47.41 42.39 14.11 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.553 0.692 . . . . 0.0 111.302 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.6 t60 68.06 31.68 5.34 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.092 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -86.37 -6.65 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 109.341 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -147.12 171.46 15.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.132 176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.8 64.52 0.82 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.383 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -87.52 -6.79 58.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.44 160.66 33.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.068 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -118.19 139.13 51.73 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -127.06 -169.64 2.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.936 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.546 ' OE1' ' HB2' ' A' ' 8' ' ' HIS . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 1.119 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.731 HG23 HG23 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG21 HE21 ' A' ' 55' ' ' GLN . 4.0 m -117.63 106.38 19.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 m -97.21 160.4 14.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.241 -171.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.73 143.57 26.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.019 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.799 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -99.99 -34.1 10.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.92 -122.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.509 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.83 -167.17 12.38 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.269 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -79.66 147.71 31.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.111 0.482 . . . . 0.0 111.506 -176.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.52 133.24 34.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.673 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 27.4 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.673 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 94.36 174.64 38.85 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.9 t70 70.73 -56.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.328 0.564 . . . . 0.0 111.424 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -75.82 71.32 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.736 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.3 pt -131.59 106.53 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.334 0.587 . . . . 0.0 111.07 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.6 103.52 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.775 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 61' ' ' ALA . 11.5 t-160 -108.0 -7.49 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 -178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HA ' HG21 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.657 HD11 HD22 ' B' ' 16' ' ' ASN . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.119 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 52.3 mtt180 53.83 80.9 0.27 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.85 -168.69 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.317 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -72.58 81.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.752 . . . . 0.0 110.438 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -143.6 138.62 29.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.32 105.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.149 0.5 . . . . 0.0 111.536 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.01 134.69 22.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.739 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.233 -177.792 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.82 41.93 0.21 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.92 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -84.22 80.71 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 111.552 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 12.0 m -77.96 110.37 12.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -129.01 111.09 12.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -122.54 146.32 47.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -80.43 167.86 19.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -153.81 107.2 2.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 0.0 109.999 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -109.86 12.36 23.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -122.69 112.15 17.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.873 0.368 . . . . 0.0 110.968 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -148.43 118.63 7.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.685 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -146.05 83.33 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.25 0.548 . . . . 0.0 110.543 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.44 54.29 0.72 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.94 -28.65 60.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.848 0.356 . . . . 0.0 111.448 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -99.71 104.27 15.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.306 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.657 HD22 HD11 ' A' ' 82' ' ' ILE . 44.1 t-20 -144.87 117.37 8.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.046 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.1 67.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 66.52 145.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 170.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.512 ' HG2' ' HB2' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.936 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.635 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.435 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.802 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.497 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.555 HG21 HD13 ' B' ' 72' ' ' ILE . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.63 -29.96 8.56 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' OD2' ' HG2' ' B' ' 73' ' ' LYS . 21.3 t70 66.61 10.23 7.25 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 111.208 173.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.68 9.1 0.76 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.168 0.987 . . . . 0.0 112.831 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.555 HD13 HG21 ' B' ' 63' ' ' VAL . 44.0 mm 62.18 100.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.197 0.311 . . . . 0.0 110.59 -175.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 31.6 mmtp -59.04 126.1 26.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.319 0.581 . . . . 0.0 109.912 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -144.23 166.47 24.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.024 -163.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.537 ' HB2' HG23 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG22 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.587 HG13 HD13 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.513 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.592 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p -71.67 92.64 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 37.0 ptt180 -157.75 136.3 7.75 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.984 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 4.8 Cg_exo -74.82 92.6 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.555 2.17 . . . . 0.0 111.172 175.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -84.64 98.99 10.5 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt -121.96 87.81 2.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.537 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -138.91 91.43 2.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.76 108.96 17.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.76 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.253 1.256 0 O-C-N 123.744 0.653 . . . . 0.0 110.931 -177.607 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.94 115.95 1.47 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -71.43 96.82 1.53 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.13 0.49 . . . . 0.0 111.84 -173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.1 t -83.75 82.1 8.47 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 174.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -61.74 135.12 57.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.913 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 66.76 101.41 0.05 OUTLIER 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.783 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -58.06 146.71 32.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.387 0.613 . . . . 0.0 111.354 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -156.44 165.49 36.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.937 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -105.75 104.92 14.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.819 0.342 . . . . 0.0 111.428 -174.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -115.35 28.25 8.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.308 172.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -69.11 85.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.233 0.539 . . . . 0.0 110.238 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 t -91.95 107.0 18.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.321 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 -137.69 11.86 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.175 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -113.03 38.27 2.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.637 0.732 . . . . 0.0 110.144 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.53 2.41 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.045 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.79 ' HB2' HG22 ' A' ' 23' ' ' THR . 28.1 p-10 -88.19 29.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.775 -172.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -104.17 -84.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 0.0 112.103 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -81.89 175.31 10.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.323 -172.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -61.58 164.76 5.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.187 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 77.36 -15.4 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.924 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.81 -101.12 1.46 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.69 ' HA ' ' HA ' ' A' ' 16' ' ' ASN . 11.7 ptp 50.57 -167.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.602 1.161 . . . . 0.0 113.72 173.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.79 HG22 ' HB2' ' A' ' 16' ' ' ASN . 15.2 t -177.87 -159.82 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.289 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.1 -25.26 61.11 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.586 ' H ' HG23 ' A' ' 23' ' ' THR . 6.5 m -58.04 -35.64 71.6 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.701 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -66.49 -22.32 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.54 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.61 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' HG3' ' HE3' ' A' ' 32' ' ' LYS . 8.4 tp10 -69.49 -46.34 66.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.7 m-20 -69.6 -39.88 77.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.301 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' ALA . 52.6 t -65.89 -33.21 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 0.0 110.131 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 33.0 ttm180 -59.28 -46.68 87.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 173.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.561 ' HE3' ' HG3' ' A' ' 28' ' ' GLU . 85.2 mttt -53.63 -54.55 36.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.232 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.75 -34.7 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.623 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -66.93 -31.67 72.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 0.0 110.698 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.1 m -61.38 -29.09 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.431 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' B' ' 79' ' ' PRO . . . -54.46 -26.95 34.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.769 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.81 -34.0 75.15 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.77 -24.47 60.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -75.74 -38.67 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.385 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 t -142.45 -25.11 0.65 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.29 -33.39 49.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.02 -0.425 . . . . 0.0 111.008 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.445 HD12 ' SG ' ' A' ' 56' ' ' CYS . 12.7 mm -123.4 91.78 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.528 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -148.2 169.48 19.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.123 0.487 . . . . 0.0 111.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 44' ' ' ILE . 26.1 pt -96.32 121.38 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.783 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.16 137.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -88.28 136.78 32.82 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.72 158.47 28.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.11 -35.56 81.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -163.1 128.34 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.72 170.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.16 -32.63 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.088 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.54 -138.69 7.34 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.111 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.74 157.09 43.61 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -126.8 122.34 34.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -84.72 114.36 21.98 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -121.17 149.03 43.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.4 0.619 . . . . 0.0 111.515 -172.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.574 ' SG ' HG21 ' A' ' 72' ' ' ILE . 70.9 m -114.57 101.27 8.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.909 169.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -67.26 -16.09 64.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' B' ' 41' ' ' ALA . 10.9 mp -81.85 15.57 2.18 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.691 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -161.76 -39.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.958 0.408 . . . . 0.0 110.585 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.47 7.6 39.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.407 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.72 137.6 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -149.92 127.2 11.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.807 0.336 . . . . 0.0 110.461 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG22 ' HD2' ' A' ' 64' ' ' PRO . 4.4 p -130.05 146.26 60.68 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.457 ' HD2' HG22 ' A' ' 63' ' ' VAL . 85.6 Cg_exo -48.91 139.92 24.52 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.291 1.994 . . . . 0.0 111.71 172.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 11.5 p-90 -62.51 167.76 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -176.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 65' ' ' TRP . 10.1 tt 79.17 -43.36 0.31 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.54 0.736 . . . . 0.0 111.7 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.29 155.84 20.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -86.24 -46.83 9.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.642 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.9 57.63 10.54 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 63.32 -86.31 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.976 0.51 . . . . 0.0 109.939 -171.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 72' ' ' ILE . 35.2 mt-10 -143.19 38.49 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.274 173.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.574 HG21 ' SG ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 79.03 1.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.381 1.073 . . . . 0.0 110.738 -178.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 tptt 70.12 118.45 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.136 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.506 ' CD2' HG22 ' A' ' 72' ' ' ILE . 4.6 m-70 -134.53 142.27 46.96 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.447 -0.501 . . . . 0.0 112.068 -178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.99 165.5 13.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.908 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -73.73 -26.47 60.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.363 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.25 -13.81 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.484 ' O ' HG22 ' A' ' 81' ' ' VAL . 30.3 p -78.09 131.97 68.24 Favored Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.57 -174.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 16.5 Cg_exo -67.9 -0.33 5.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.979 2.453 . . . . 0.0 112.371 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 36.1 t -67.34 -34.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.499 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 78' ' ' CYS . 19.5 m -59.38 -43.67 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp -75.96 -39.69 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -49.31 74.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.671 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 53.7 mtpt -54.68 -51.96 63.87 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -49.82 -39.73 39.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.645 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.4 -51.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.645 0.26 . . . . 0.0 111.695 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' HB1' ' A' ' 34' ' ' ALA . 4.6 pp -71.35 -19.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.61 0.243 . . . . 0.0 111.632 -174.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -93.08 -39.82 10.86 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m 60.63 21.66 11.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.603 0.716 . . . . 0.0 110.055 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.851 ' HG3' ' HD2' ' A' ' 91' ' ' PRO . 1.8 ttm180 -85.12 139.77 36.76 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.787 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.851 ' HD2' ' HG3' ' A' ' 90' ' ' ARG . 66.0 Cg_exo -25.14 105.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 125.127 3.885 . . . . 0.0 114.654 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -91.54 95.43 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.984 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 95' ' ' ALA . 60.6 tp -79.71 102.57 9.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 72.98 -24.86 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.848 0.718 . . . . 0.0 112.334 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 93' ' ' LEU . . . 70.74 165.42 0.28 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.842 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.115 -178.194 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.26 22.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.918 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -70.16 157.12 38.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.493 0.187 . . . . 0.0 110.919 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' B' ' 5' ' ' HIS . 70.0 m 63.7 -158.59 0.31 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' B' ' 4' ' ' SER . 72.3 m80 78.79 -35.56 0.17 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.41 0.684 . . . . 0.0 110.817 -178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.6 p80 41.67 89.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.586 1.154 . . . . 0.0 113.351 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.07 38.92 3.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.702 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -73.86 98.36 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.91 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -152.59 140.58 20.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.039 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.473 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 44.3 t-80 -158.08 116.95 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.339 172.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -124.32 127.86 48.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.34 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -103.75 137.42 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.418 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.28 -135.7 4.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.438 ' HB3' ' H ' ' B' ' 15' ' ' GLU . 19.6 mmt180 62.68 -155.78 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.015 0.526 . . . . 0.0 111.306 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.438 ' H ' ' HB3' ' B' ' 14' ' ' ARG . 38.9 mt-10 -114.52 -179.61 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.786 -174.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -92.83 96.71 10.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.919 0.39 . . . . 0.0 110.644 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.15 -170.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.256 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.91 -55.03 26.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.875 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' B' ' 20' ' ' GLN . 40.9 m-85 -84.46 -5.82 59.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.981 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.487 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 7.8 tp60 76.0 135.8 0.06 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.125 0.89 . . . . 0.0 109.521 -169.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.45 -91.72 1.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.03 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 1.027 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 37.1 ttm 64.81 179.21 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.848 0.459 . . . . 0.0 110.449 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 33.1 p 52.93 89.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.318 0.647 . . . . 0.0 111.844 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 23' ' ' THR . 27.0 m-20 73.84 -60.67 0.52 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.964 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.1 m -61.52 -22.06 64.79 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.607 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 1.027 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -55.24 -32.02 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.011 0.434 . . . . 0.0 111.368 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' B' ' 31' ' ' ARG . . . -73.17 -27.31 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' B' ' 10' ' ' HIS . 0.5 OUTLIER -68.05 -50.93 52.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -174.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.451 ' O ' HG13 ' B' ' 33' ' ' ILE . 3.5 m-20 -66.59 -45.9 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.64 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.24 -36.76 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.45 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 27.7 ttm180 -58.79 -44.88 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.033 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.9 -45.59 93.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.306 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 29' ' ' ASP . 27.0 mt -62.29 -41.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.009 0.433 . . . . 0.0 110.172 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.514 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.78 -31.73 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.425 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -64.64 -30.76 71.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.17 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.017 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.625 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 23.9 mt -65.83 -38.15 88.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.668 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.12 -25.77 42.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' B' ' 40' ' ' THR . 29.2 mmmt -76.72 -58.48 3.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.757 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 39' ' ' LYS . 13.5 t 179.77 37.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.558 0.694 . . . . 0.0 111.684 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.696 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -62.54 -28.62 69.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.391 0.615 . . . . 0.0 110.381 174.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.979 HD13 ' HA ' ' B' ' 56' ' ' CYS . 13.1 mt -99.37 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.41 ' H ' HG22 ' B' ' 42' ' ' ILE . 37.4 tt0 -103.69 148.29 26.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.499 0.666 . . . . 0.0 111.03 -173.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.531 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 36.2 mm -87.22 114.31 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.065 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 53' ' ' HIS . 4.9 m -89.81 106.3 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 33.7 p -101.67 140.79 35.49 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.629 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.86 140.86 29.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.3 -58.42 5.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.304 0.574 . . . . 0.0 110.972 -174.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -132.0 105.58 7.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.506 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.29 -46.68 0.29 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.785 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.4 159.65 8.87 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.712 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -92.57 153.02 19.29 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.437 ' HB2' HG23 ' B' ' 45' ' ' VAL . 93.3 m-70 -135.58 142.54 45.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.603 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.968 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 49.7 t-20 -105.18 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -108.5 100.81 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.145 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.979 ' HA ' HD13 ' B' ' 42' ' ' ILE . 58.3 m -59.26 104.23 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.474 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.46 -1.06 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.184 -170.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.476 HD22 HG23 ' B' ' 80' ' ' VAL . 6.3 mp -115.72 -57.31 2.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.011 -0.431 . . . . 0.0 111.859 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 7.5 p -82.89 -5.46 59.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.79 64.16 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.833 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.437 ' H ' ' HB2' ' B' ' 56' ' ' CYS . . . -108.41 160.11 16.14 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.707 -0.29 . . . . 0.0 110.594 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -124.55 129.27 50.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 0.0 110.411 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.968 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 58.8 t -100.57 130.46 25.53 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.244 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 20.8 Cg_exo -67.86 5.34 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.591 2.861 . . . . 0.0 113.563 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.648 ' H ' HG12 ' B' ' 63' ' ' VAL . 49.0 t90 75.51 147.85 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.49 0.716 . . . . 0.0 111.287 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp 63.41 24.99 14.39 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.227 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -152.56 148.19 27.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.772 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -59.37 -32.22 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.571 0.544 . . . . 0.0 112.231 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.09 -23.67 30.06 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 61.66 36.99 16.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 114.857 -0.672 . . . . 0.0 111.563 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 53.06 59.04 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.974 0.892 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.509 HG12 ' N ' ' B' ' 73' ' ' LYS . 14.1 tt -63.01 170.75 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.212 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.509 ' N ' HG12 ' B' ' 72' ' ' ILE . 75.0 mmtt -43.58 127.75 4.94 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.039 0.536 . . . . 0.0 111.112 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -144.77 140.35 28.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.113 -169.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.27 122.61 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.55 ' HA ' HG21 ' B' ' 81' ' ' VAL . 25.1 t70 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 111.388 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -92.12 -6.49 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.834 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.539 ' O ' HG22 ' B' ' 81' ' ' VAL . 27.3 p -88.1 152.7 50.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.906 -176.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 36' ' ' ALA . 39.7 Cg_exo -61.73 -28.81 82.52 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.84 2.36 . . . . 0.0 112.738 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.476 HG23 HD22 ' B' ' 58' ' ' LEU . 60.8 t -59.99 -46.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.549 -176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.55 HG21 ' HA ' ' B' ' 76' ' ' ASP . 34.6 m -68.01 -36.94 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.33 -176.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.453 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.9 mm -54.68 -50.52 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.232 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.29 94.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -61.6 -36.33 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.605 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -73.65 -34.45 64.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.859 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.9 mt -74.95 -40.28 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.514 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.5 pp -71.09 -11.4 60.93 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.77 0.319 . . . . 0.0 111.519 -177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -81.42 66.19 6.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 0.0 110.305 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.0 149.21 28.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 59.71 85.7 0.17 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-O 121.344 0.592 . . . . 0.0 110.164 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -77.01 118.44 4.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.977 2.452 . . . . 0.0 112.311 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.8 -8.73 7.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.449 0.642 . . . . 0.0 109.795 173.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' B' ' 94' ' ' HIS . 27.5 tp -103.36 173.24 6.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.056 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.431 ' H ' ' HG ' ' B' ' 93' ' ' LEU . 30.9 t-80 68.79 37.14 2.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 109.879 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.39 118.39 22.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.387 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.245 0.853 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.567 178.122 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 tpp . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.82 134.96 35.09 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 p -146.54 138.37 24.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.408 ' HB3' ' HD3' ' A' ' 84' ' ' LYS . 6.6 t 72.72 144.34 0.07 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.198 173.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -156.84 119.31 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.223 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t60 65.43 106.22 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.408 0.623 . . . . 0.0 111.75 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -102.75 155.19 18.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -153.63 -166.48 2.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.634 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 76.56 115.88 0.06 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.079 0.862 . . . . 0.0 110.142 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -89.01 96.05 10.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.609 0.719 . . . . 0.0 111.054 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 m -94.47 131.72 39.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.527 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -160.55 140.51 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.75 148.69 15.79 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -100.09 85.57 3.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.333 0.587 . . . . 0.0 111.104 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -156.9 150.41 24.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.336 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' HA ' ' OD2' ' A' ' 29' ' ' ASP . 4.3 t-20 -145.42 102.36 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -134.08 130.52 37.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -172.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.478 ' OH ' ' HA ' ' B' ' 86' ' ' ILE . 52.0 t80 -90.63 84.44 5.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.758 0.789 . . . . 0.0 112.017 -174.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 87.5 m-85 60.73 -178.13 0.11 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.691 -1.595 . . . . 0.0 113.942 169.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 64.98 -76.04 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.615 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.35 56.53 3.91 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 26' ' ' ALA . 95.8 mmm -87.67 120.19 28.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.977 0.418 . . . . 0.0 111.48 -175.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -146.39 134.83 21.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.725 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 63.62 -81.12 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.401 0.68 . . . . 0.0 112.431 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.2 m -75.72 2.13 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.566 0.698 . . . . 0.0 110.713 -174.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 22' ' ' MET . . . -56.86 -36.68 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.683 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.45 71.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 14.6 mm-40 -61.26 -52.12 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.285 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 16.8 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 0.0 111.636 -174.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.03 -46.56 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.606 0.241 . . . . 0.0 111.225 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -64.89 -27.4 68.84 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 15.1 ttmm -52.19 -48.95 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.516 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.584 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 22.8 mt -65.16 -45.29 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.111 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.8 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.876 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 m -64.09 -42.29 96.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.572 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB1' HD11 ' B' ' 58' ' ' LEU . . . -63.23 -45.02 93.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.42 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.69 -27.23 61.96 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 tp -72.02 -26.24 62.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.375 0.607 . . . . 0.0 110.424 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -91.45 -10.96 39.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.956 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.513 ' O ' HG12 ' A' ' 42' ' ' ILE . 32.0 p -131.34 -100.21 0.3 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.31 -66.07 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.157 0.983 . . . . 0.0 112.906 -176.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.655 HD12 HD21 ' A' ' 54' ' ' ASN . 13.0 pt -71.49 175.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.922 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.3 145.29 24.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.799 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.2 pt -114.87 112.37 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 121.12 0.486 . . . . 0.0 111.51 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG22 ' NE2' ' A' ' 55' ' ' GLN . 23.3 m -102.76 147.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 33.0 t -121.5 140.73 51.82 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.205 0.526 . . . . 0.0 110.778 -174.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -88.68 171.17 10.19 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.8 -64.67 0.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.311 0.577 . . . . 0.0 110.332 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -118.53 5.1 11.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.482 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.69 -28.82 45.52 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.27 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.29 165.46 22.89 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.019 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -82.87 132.46 35.16 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.944 0.402 . . . . 0.0 110.113 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -115.94 134.1 55.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.059 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.655 HD21 HD12 ' A' ' 42' ' ' ILE . 50.6 t-20 -93.94 115.53 27.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.566 ' NE2' HG22 ' A' ' 45' ' ' VAL . 3.0 mp0 -96.71 112.41 24.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.81 0.338 . . . . 0.0 111.696 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.442 ' HA ' HG22 ' A' ' 42' ' ' ILE . 84.7 m -79.89 96.4 6.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 171.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -48.01 -52.02 21.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.852 -170.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.667 HD23 ' HD2' ' A' ' 79' ' ' PRO . 8.5 mp -63.04 -47.14 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.7 p -95.29 -2.59 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.618 -174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.52 31.52 81.03 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.97 51.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.699 0.285 . . . . 0.0 110.575 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 p -111.89 130.48 55.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.515 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.2 p -130.48 138.29 32.71 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.919 -177.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.48 144.85 39.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.566 2.177 . . . . 0.0 112.468 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -62.23 -8.68 6.09 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.394 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.84 -17.08 61.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.641 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -101.35 175.32 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 111.037 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.47 ' HB ' ' HG2' ' A' ' 71' ' ' GLU . 11.5 m -79.65 -21.3 44.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.133 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.584 ' O ' HG22 ' A' ' 72' ' ' ILE . . . 101.02 -54.53 0.82 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.577 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.518 ' HA ' ' HE1' ' A' ' 74' ' ' HIS . 32.4 t70 -72.1 -14.59 61.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.079 0.466 . . . . 0.0 110.87 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' HG2' ' HB ' ' A' ' 68' ' ' THR . 12.2 mm-40 -65.45 -30.7 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.92 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 69' ' ' GLY . 16.9 tt -70.14 140.45 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 32.4 mmtp -66.89 110.13 3.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.412 0.625 . . . . 0.0 111.271 -174.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.518 ' HE1' ' HA ' ' A' ' 70' ' ' ASP . 69.1 m80 -86.6 148.1 25.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.365 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.34 153.64 42.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.88 -13.9 58.5 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.21 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.95 0.66 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.354 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.574 ' O ' HG22 ' A' ' 81' ' ' VAL . 63.1 m -91.98 114.64 62.7 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.293 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.667 ' HD2' HD23 ' A' ' 58' ' ' LEU . 19.1 Cg_endo -59.45 -3.69 2.03 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.261 2.641 . . . . 0.0 114.195 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.541 HG23 HD22 ' A' ' 58' ' ' LEU . 77.5 t -63.39 -31.92 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.247 176.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 78' ' ' CYS . 27.9 m -63.4 -36.59 76.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.08 0.467 . . . . 0.0 110.506 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.6 mm -67.33 -45.8 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.15 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.81 81.3 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.246 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.408 ' HD3' ' HB3' ' A' ' 4' ' ' SER . 98.2 mttt -57.73 -46.72 84.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.104 0.478 . . . . 0.0 110.671 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.83 ' HB3' ' HD3' ' A' ' 90' ' ' ARG . 40.4 mt-30 -62.35 -30.51 71.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' ILE . 62.5 mt -74.97 -49.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.233 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.87 -14.96 60.28 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -99.38 9.44 43.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 110.666 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.1 p 48.56 74.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.348 0.659 . . . . 0.0 112.409 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.83 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 29.7 ptt180 -68.14 138.99 92.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.239 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -92.64 -171.42 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.99 2.46 . . . . 0.0 111.908 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.48 110.69 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.8 tp -146.27 138.92 25.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.714 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -85.08 74.95 10.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.079 0.466 . . . . 0.0 110.219 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.26 26.03 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.56 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.939 -178.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.75 0.31 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.28 60.13 0.12 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.836 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -136.43 120.55 17.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.813 0.34 . . . . 0.0 110.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.8 t -111.12 175.3 5.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -142.16 156.34 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 71.98 114.09 0.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.954 0.784 . . . . 0.0 111.729 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -70.13 119.16 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.865 173.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -81.6 76.82 8.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.589 0.709 . . . . 0.0 110.343 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -135.27 91.67 2.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.253 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.518 ' HB3' HG23 ' B' ' 35' ' ' THR . 40.7 t-80 -123.13 97.13 5.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.069 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.598 ' HB3' ' HD2' ' B' ' 92' ' ' LYS . 13.2 t -85.26 103.91 14.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.066 0.46 . . . . 0.0 110.432 -178.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -151.71 120.51 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.308 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.01 -117.96 0.42 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.59 ' HG2' ' H ' ' B' ' 15' ' ' GLU . 24.9 ttt180 69.93 -178.84 0.22 Allowed 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.9 0.412 . . . . 0.0 110.664 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.59 ' H ' ' HG2' ' B' ' 14' ' ' ARG . 2.0 mp0 -60.89 117.04 4.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -86.54 178.0 7.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.583 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -115.63 -125.65 0.29 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.689 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.44 ' HD2' ' H ' ' B' ' 20' ' ' GLN . 51.8 t80 -179.19 163.84 1.33 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -176.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' B' ' 22' ' ' MET . 18.5 m-85 -54.18 -40.43 67.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.44 ' H ' ' HD2' ' B' ' 18' ' ' TYR . 24.4 tt0 -72.95 116.3 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.86 -68.68 1.72 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -167.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.543 ' HB2' ' O ' ' B' ' 19' ' ' PHE . 9.0 ttt 64.83 -75.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.935 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 34.7 p 45.56 -87.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -126.14 -54.94 1.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -167.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -61.87 -15.4 42.14 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.64 67.52 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.004 -0.435 . . . . 0.0 111.259 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -28.15 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 109.4 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.778 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 33.9 mt-10 -78.03 -31.49 50.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.399 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.22 -52.66 63.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.27 0.557 . . . . 0.0 109.964 170.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -45.81 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.753 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.778 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 27.6 ptt180 -66.24 -29.15 69.34 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.203 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -61.58 -40.13 93.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.047 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 79' ' ' PRO . 46.8 mt -77.55 -41.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.083 0.468 . . . . 0.0 110.249 177.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.661 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.36 -31.25 65.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.518 HG23 ' HB3' ' B' ' 10' ' ' HIS . 97.1 m -54.64 -30.55 55.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.43 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.35 80.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.5 pp -73.87 -24.59 59.75 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.62 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.763 HD11 HD22 ' B' ' 87' ' ' LEU . 95.2 mt -70.46 -30.94 67.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.347 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' B' ' 39' ' ' LYS . 39.8 mtpt -74.02 -57.9 3.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 176.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -165.59 89.91 0.46 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 122.263 1.03 . . . . 0.0 112.146 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -114.74 -4.67 12.7 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.617 166.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -71.1 141.08 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.924 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.688 ' HB2' ' HE3' ' B' ' 57' ' ' LYS . 19.4 tt0 -102.46 137.49 40.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.445 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' B' ' 54' ' ' ASN . 26.5 mm -124.58 116.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.286 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' B' ' 53' ' ' HIS . 7.1 m -105.58 105.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.784 169.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.654 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.6 m -85.61 125.29 33.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.088 -174.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.33 152.44 34.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.731 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -38.09 53.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.083 0.468 . . . . 0.0 110.797 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -104.69 -44.93 4.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.28 -9.34 85.75 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.502 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.427 ' O ' ' HD2' ' B' ' 53' ' ' HIS . . . 81.79 170.39 44.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.062 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.654 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -66.45 135.95 55.0 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 171.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.526 ' HB2' HG23 ' B' ' 45' ' ' VAL . 14.7 m-70 -114.4 124.87 53.03 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.372 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' B' ' 44' ' ' ILE . 37.3 t-20 -86.94 111.08 20.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.572 ' HA ' ' HB2' ' B' ' 62' ' ' SER . 19.0 mt-30 -127.61 142.58 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.22 0.533 . . . . 0.0 111.374 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' B' ' 59' ' ' CYS . 37.5 t -102.66 116.77 33.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.688 ' HE3' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -76.59 -1.08 25.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.398 -175.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.507 HD11 ' HB1' ' A' ' 36' ' ' ALA . 12.2 tp -80.96 -39.55 25.86 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' B' ' 56' ' ' CYS . 7.5 p -101.32 -41.58 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.97 1.66 56.07 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.634 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.6 134.43 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.572 ' HB2' ' HA ' ' B' ' 55' ' ' GLN . 65.0 m -153.54 -166.93 2.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.469 HG11 ' HA2' ' B' ' 69' ' ' GLY . 15.0 p -110.77 145.2 31.86 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.139 -164.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' B' ' 63' ' ' VAL . 10.2 Cg_endo -54.38 151.03 31.34 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.165 2.577 . . . . 0.0 113.493 176.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 38.5 t-105 -66.22 163.06 18.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.301 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 92.1 mt 78.52 -19.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.093 0.957 . . . . 0.0 111.897 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -93.87 164.42 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -56.4 113.18 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.965 0.412 . . . . 0.0 110.504 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.469 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . -81.08 63.39 4.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.669 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -147.25 179.7 7.45 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 48.84 38.82 12.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.179 0.591 . . . . 0.0 112.23 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.66 99.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -84.53 142.39 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -163.13 -113.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 135.35 34.22 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 171.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.407 ' HA ' HG21 ' B' ' 81' ' ' VAL . 2.2 m-20 -76.25 -5.06 45.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.451 0.643 . . . . 0.0 109.739 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.66 -16.21 58.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.871 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 76.4 m -66.96 135.4 94.1 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.747 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.584 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.0 Cg_exo -56.92 -18.42 27.76 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.337 2.691 . . . . 0.0 113.457 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.4 HG23 HD23 ' B' ' 58' ' ' LEU . 49.3 t -56.08 -43.88 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.013 0.435 . . . . 0.0 110.748 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' B' ' 76' ' ' ASP . 47.9 t -69.49 -42.35 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.625 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 33' ' ' ILE . 46.3 mm -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.942 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.95 92.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -58.9 -47.41 85.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.505 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.36 -36.42 66.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.137 0.494 . . . . 0.0 110.597 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.478 ' HA ' ' OH ' ' A' ' 18' ' ' TYR . 72.6 mt -75.07 -54.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.917 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.763 HD22 HD11 ' B' ' 38' ' ' LEU . 4.5 pp -72.54 -17.1 61.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -88.37 -21.0 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.539 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m -89.75 -0.16 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.279 0.561 . . . . 0.0 110.363 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -128.24 98.38 26.59 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.436 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.49 -174.66 2.37 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.747 2.298 . . . . 0.0 112.226 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.598 ' HD2' ' HB3' ' B' ' 11' ' ' SER . 60.3 tttm -94.7 94.44 8.12 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.58 151.07 37.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.717 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -86.7 88.44 7.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.444 0.64 . . . . 0.0 110.242 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' B' ' 96' ' ' VAL . . . -148.56 38.1 0.84 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.231 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' B' ' 95' ' ' ALA . 64.1 t . . . . . 0 C--O 1.243 0.761 0 O-C-N 124.367 1.042 . . . . 0.0 110.304 -174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.17 36.01 41.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.856 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.58 ' O ' ' HA ' ' A' ' 70' ' ' ASP . 30.7 t -99.83 100.45 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 110.757 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -116.9 -87.14 0.62 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CE1' HD13 ' A' ' 87' ' ' LEU . 23.5 t-160 177.09 117.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.686 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -78.66 126.01 30.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.23 159.06 22.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.435 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 14.9 m-70 -142.92 -72.3 0.3 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.23 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 35.0 m80 74.46 100.23 0.07 Allowed 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.825 0.703 . . . . 0.0 110.987 -175.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' HB2' ' HG2' ' A' ' 28' ' ' GLU . 10.5 m-70 -125.82 161.63 26.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -81.15 23.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.923 0.392 . . . . 0.0 111.479 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.471 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 16.4 m -64.38 126.43 27.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.17 45.55 0.1 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.664 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -158.33 162.12 37.68 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.03 77.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.935 0.874 . . . . 0.0 109.347 172.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -72.94 -69.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.701 -173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.702 ' HB3' ' HA ' ' A' ' 22' ' ' MET . 91.7 mt -137.04 132.78 34.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.023 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -97.44 -175.76 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.752 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.692 ' HD2' ' HB3' ' B' ' 22' ' ' MET . 64.0 m-85 -55.75 158.49 3.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.348 0.259 . . . . 0.0 111.284 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? 79.91 -35.52 0.14 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.921 0.888 . . . . 0.0 110.959 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 45.21 1.02 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.685 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.702 ' HA ' ' HB3' ' A' ' 17' ' ' LEU . 12.9 ptp -87.63 -24.31 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p 50.01 -95.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.43 -64.5 1.29 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -53.71 -32.91 53.78 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -168.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 22' ' ' MET . . . -60.05 -25.17 65.14 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -63.86 -27.45 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.013 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.658 ' HG2' ' HB2' ' A' ' 10' ' ' HIS . 10.0 tp10 -84.53 -38.62 19.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 12' ' ' SER . 15.2 m-20 -62.52 -45.9 90.88 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.158 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -30.35 42.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 25.5 ttm-85 -63.67 -37.57 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.831 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -63.41 -49.59 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.993 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' B' ' 79' ' ' PRO . 32.7 pt -65.27 -33.35 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.215 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.08 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 111.218 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 m -76.62 -30.34 56.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -52.71 -44.44 66.33 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 38' ' ' LEU . 4.0 pp -69.12 -33.83 74.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 111.389 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 37' ' ' LEU . 39.1 tp -78.91 -26.47 43.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.543 0.687 . . . . 0.0 110.202 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HG3' HG23 ' A' ' 40' ' ' THR . 47.1 tptt -74.61 -36.51 62.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.728 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 ' HG3' ' A' ' 39' ' ' LYS . 7.3 p -133.3 -56.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.15 65.78 3.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.313 0.577 . . . . 0.0 111.664 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 56' ' ' CYS . 11.1 tp -146.93 154.26 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.729 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -105.42 141.87 36.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.305 0.574 . . . . 0.0 110.674 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.47 HG22 ' HA ' ' A' ' 54' ' ' ASN . 1.3 pp -133.04 134.18 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.713 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -106.38 153.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.1 t -100.83 139.69 36.17 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.21 0.528 . . . . 0.0 111.247 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.14 124.78 28.3 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.585 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.42 -35.58 70.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 0.0 111.537 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.8 -33.97 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.899 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.61 80.73 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.444 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.28 174.17 46.65 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.691 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.7 136.3 54.01 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.036 0.446 . . . . 0.0 110.561 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.51 119.32 30.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.931 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.708 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 28.0 t-20 -88.62 137.47 32.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.894 -176.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.44 110.47 13.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.8 ' HA ' HD11 ' A' ' 42' ' ' ILE . 77.5 m -68.05 111.66 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -79.25 38.25 0.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.234 -162.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -157.27 13.38 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 56' ' ' CYS . 23.8 p -152.17 -31.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.89 2.83 68.82 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.177 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.7 137.6 38.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.014 0.407 . . . . 0.0 110.232 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.3 p -100.11 123.93 44.92 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.45 0.643 . . . . 0.0 110.246 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 85.2 t -106.55 143.92 27.98 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.55 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 69' ' ' GLY . 70.6 Cg_exo -56.34 7.5 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.999 3.133 . . . . 0.0 114.468 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.708 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 0.0 OUTLIER 85.62 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.748 1.219 . . . . 0.0 112.171 173.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.7 tp -76.94 79.27 3.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.717 0.294 . . . . 0.0 111.012 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 61.42 -88.21 0.02 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.131 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.2 m -103.19 -20.93 13.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 70' ' ' ASP . . . 80.7 -69.05 3.27 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -171.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.58 ' HA ' ' O ' ' A' ' 3' ' ' SER . 4.0 t70 177.41 -78.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 O-C-N 124.382 0.696 . . . . 0.0 109.775 168.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -123.85 80.18 1.78 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.2 tp -85.41 156.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.619 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -72.16 128.66 36.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.154 0.502 . . . . 0.0 110.273 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -89.48 118.17 28.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.342 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.37 98.77 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 168.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.75 -29.7 70.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.98 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -80.16 -23.42 41.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.798 0.332 . . . . 0.0 110.956 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 60.1 m -80.45 118.61 73.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -176.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 32.7 Cg_exo -60.33 -23.67 75.21 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.341 2.694 . . . . 0.0 113.222 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.78 -34.81 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.658 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.34 -36.56 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.53 -47.64 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.937 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.15 -42.99 70.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.814 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' HA ' ' HG ' ' A' ' 87' ' ' LEU . 89.2 mttt -62.48 -44.73 95.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.839 0.352 . . . . 0.0 110.731 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.28 -40.41 86.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.532 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.01 -50.86 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.438 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 83' ' ' ALA . 4.0 pp -69.84 -16.97 63.35 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 t -88.05 -36.52 16.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m 65.91 23.1 11.31 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.703 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 36.1 mmt180 -128.04 95.08 34.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -95.54 165.35 1.46 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.294 2.662 . . . . 0.0 111.611 171.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -149.6 153.22 36.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.48 107.35 4.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.141 0.496 . . . . 0.0 111.014 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.81 -88.83 0.58 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.237 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.98 128.52 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.834 0.709 . . . . 0.0 112.149 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.196 178.115 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.775 0.321 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.03 172.57 28.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.801 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -138.2 -57.53 0.65 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.732 0.266 . . . . 0.0 111.365 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m 60.65 83.76 0.14 Allowed 'General case' 0 C--O 1.231 0.123 0 O-C-N 123.935 0.772 . . . . 0.0 110.468 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -96.54 114.87 26.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.402 0.62 . . . . 0.0 110.329 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -117.49 117.0 28.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.938 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -79.02 155.15 28.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -106.96 94.32 5.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.574 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -89.01 143.11 27.08 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -78.94 -92.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.479 0.18 . . . . 0.0 111.227 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t 179.68 -74.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -94.75 151.24 19.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.398 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' B' ' 14' ' ' ARG . . . -146.87 65.72 0.42 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' B' ' 13' ' ' GLY . 1.0 OUTLIER 76.55 -72.55 0.1 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 111.272 -175.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 64.4 -116.2 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.803 0.689 . . . . 0.0 110.322 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 67.5 157.09 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.797 0.685 . . . . 0.0 111.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' B' ' 20' ' ' GLN . 0.6 OUTLIER 54.34 63.12 2.27 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.082 176.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -122.13 131.76 54.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 64.17 17.85 10.92 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.712 0.632 . . . . 0.0 110.854 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.629 ' HB3' HD23 ' B' ' 17' ' ' LEU . 26.5 tp60 -112.83 -36.32 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.716 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -164.43 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.975 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.692 ' HB3' ' HD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER 77.59 132.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.362 0.665 . . . . 0.0 111.521 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -118.29 -170.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.1 -44.19 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.288 0.635 . . . . 0.0 112.082 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.9 m -66.16 -32.24 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.051 0.453 . . . . 0.0 111.469 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.99 -22.69 67.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.201 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.24 -29.98 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.299 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.469 ' HA ' ' HG2' ' B' ' 31' ' ' ARG . 36.2 tt0 -78.44 -36.85 44.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.73 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.48 -53.63 45.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.52 -34.69 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.397 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.469 ' HG2' ' HA ' ' B' ' 28' ' ' GLU . 12.5 ptm180 -73.58 -30.17 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.729 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.22 -45.24 81.39 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.615 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.06 -33.96 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.83 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -68.39 -34.84 76.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.113 0.482 . . . . 0.0 110.845 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 27.0 m -76.28 -30.46 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.5 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.741 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.4 pp -67.81 -30.57 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.666 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 33.8 tp -80.18 -26.0 39.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 0.0 110.848 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.73 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.1 OUTLIER -56.45 -38.05 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.266 -178.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.711 HG23 ' H ' ' B' ' 41' ' ' ALA . 2.0 t -113.41 -71.46 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.326 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.711 ' H ' HG23 ' B' ' 40' ' ' THR . . . 66.87 -43.57 0.43 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.595 HG22 ' ND2' ' B' ' 54' ' ' ASN . 7.8 mm -122.42 101.14 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -170.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.49 -178.87 3.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 pt -110.28 142.42 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.596 HG13 ' HE2' ' B' ' 57' ' ' LYS . 7.7 m -111.24 132.29 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -88.15 135.91 33.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.115 0.483 . . . . 0.0 112.112 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.25 152.98 41.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.404 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.89 -36.86 30.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.416 . . . . 0.0 110.099 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.21 -46.77 66.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.615 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.12 92.97 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.47 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.19 -175.21 44.24 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.49 21.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.119 0.485 . . . . 0.0 111.43 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.444 ' HB2' HG23 ' B' ' 45' ' ' VAL . 81.1 m-70 -106.52 112.19 25.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.402 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.595 ' ND2' HG22 ' B' ' 42' ' ' ILE . 2.2 t-20 -95.98 105.72 17.79 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -156.36 157.33 35.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.935 -173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.74 123.05 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.598 ' CB ' ' HB ' ' A' ' 40' ' ' THR . 33.1 mmtp -62.85 -11.72 20.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -171.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.456 HD21 ' HB1' ' A' ' 36' ' ' ALA . 5.9 mp -82.69 -105.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 83.8 m -151.6 12.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' B' ' 74' ' ' HIS . . . -87.86 -12.84 65.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.742 -0.742 . . . . 0.0 114.003 -170.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.18 130.77 8.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.601 0.7 . . . . 0.0 111.967 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 38.2 t -139.56 123.56 17.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.61 138.5 13.48 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.234 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.36 140.8 71.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.19 1.926 . . . . 0.0 111.292 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -69.9 -11.3 60.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.268 0.556 . . . . 0.0 110.961 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 22.58 5.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -144.79 162.91 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.013 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -78.16 147.19 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.784 0.326 . . . . 0.0 110.404 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.25 102.98 0.42 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -143.85 -53.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.834 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.51 25.29 7.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.181 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 12.4 tt -66.75 132.79 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.195 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -70.77 157.04 38.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.982 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' B' ' 60' ' ' GLY . 81.1 m-70 -120.64 141.66 50.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.922 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.425 ' H ' ' HA2' ' B' ' 60' ' ' GLY . . . -66.52 144.53 56.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.707 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -80.11 -6.71 58.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.961 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.89 -12.68 60.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.141 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.466 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 68.4 m -99.0 145.35 29.82 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.876 -176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 16.6 Cg_exo -68.4 3.0 2.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.472 2.781 . . . . 0.0 112.7 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 44.9 t -60.54 -31.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.254 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.5 -46.19 47.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.721 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.3 -43.78 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' B' ' 87' ' ' LEU . . . -57.95 -44.25 86.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 8.2 mtpm? -52.97 -52.61 57.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.393 0.616 . . . . 0.0 110.845 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.19 -39.98 95.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.796 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.26 -52.14 50.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 83' ' ' ALA . 4.5 pp -70.69 -16.75 62.82 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 71.3 m -70.8 -50.41 35.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p 52.97 -179.85 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.868 0.867 . . . . 0.0 111.8 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 90' ' ' ARG . 14.0 ttt180 57.39 87.51 0.14 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.309 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.86 78.98 0.7 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.364 2.71 . . . . 0.0 113.852 -169.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -155.53 -178.18 7.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.279 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.08 116.37 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -50.43 123.31 8.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 111.43 -173.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.68 -177.69 4.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.324 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.811 -179.755 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.95 147.28 16.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.684 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -157.18 7.48 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p -88.88 100.23 13.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.141 -171.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -106.86 93.09 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' B' ' 60' ' ' GLY . 10.2 p80 -72.77 140.63 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -171.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -160.83 -178.99 7.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.799 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -115.86 -170.92 1.88 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.723 0.296 . . . . 0.0 110.561 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.64 ' HB2' ' HB1' ' B' ' 75' ' ' ALA . 49.5 m-70 -136.43 -142.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -84.45 -57.16 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.768 ' HA ' ' HB2' ' B' ' 76' ' ' ASP . 63.6 m 65.43 -178.91 0.19 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.415 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m 70.15 177.06 0.27 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.72 -61.05 0.35 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.18 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 66.62 38.93 3.86 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.837 0.455 . . . . 0.0 111.248 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -67.14 131.41 45.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 0.0 110.418 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -120.7 121.21 37.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.044 0.449 . . . . 0.0 110.227 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.91 133.31 45.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.1 166.04 16.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.983 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 27' ' ' ALA . 97.2 m-85 -64.16 -19.12 65.08 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.841 -176.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -82.9 95.31 7.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.83 -95.73 0.58 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.518 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 15.4 mmt 68.5 -36.4 0.32 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' ' 22' ' ' MET . 87.7 m 74.2 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.259 0.35 . . . . 0.0 111.627 173.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -169.57 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.119 0.485 . . . . 0.0 110.525 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 m -67.01 -6.12 15.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.443 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 22' ' ' MET . . . -55.67 -36.37 67.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.346 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -74.15 -28.3 61.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.041 0.448 . . . . 0.0 110.785 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -56.28 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.505 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 2.3 m-20 -65.66 -23.78 66.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.217 -173.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.613 HG11 HG21 ' A' ' 86' ' ' ILE . 74.5 t -69.47 -44.31 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.989 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 26.7 mtm180 -66.39 -38.46 87.57 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 79.5 tttt -52.93 -49.67 65.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.713 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.916 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 25.4 pt -72.79 -33.62 44.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.693 0.283 . . . . 0.0 111.357 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.658 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -67.44 -32.45 73.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -57.35 -30.61 64.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.374 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -61.92 -45.11 95.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.675 0.274 . . . . 0.0 111.188 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.5 pp -78.57 -23.41 46.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.491 HD12 HD12 ' A' ' 37' ' ' LEU . 7.9 mp -73.63 -26.94 61.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.757 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -87.97 -41.26 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.489 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 p -133.95 -89.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.084 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 64.06 -65.41 0.13 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.864 0.866 . . . . 0.0 112.286 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.617 HG22 HD21 ' A' ' 54' ' ' ASN . 57.7 mt -54.7 122.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 -173.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -104.16 164.89 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.287 0.565 . . . . 0.0 111.045 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.624 HD11 ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.26 116.17 46.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.571 0.701 . . . . 0.0 109.668 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.57 123.72 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.491 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -92.43 111.42 22.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.85 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 22.4 mm-40 -89.57 139.3 30.68 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -53.02 -47.61 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.758 0.661 . . . . 0.0 111.291 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -123.84 -26.4 4.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.929 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.35 -22.53 69.42 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.936 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 47' ' ' GLU . . . 96.78 -175.69 31.54 Favored Glycine 0 N--CA 1.436 -1.357 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.025 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -78.75 130.49 35.83 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.4 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -136.82 142.26 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.617 HD21 HG22 ' A' ' 42' ' ' ILE . 2.6 t-20 -95.45 128.87 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.504 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -120.94 154.57 35.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.213 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 25.7 p -103.1 163.49 12.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 110.633 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' B' ' 40' ' ' THR . 37.0 mttp -95.55 84.63 4.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.205 0.526 . . . . 0.0 110.187 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' CYS . 7.7 mp 74.0 106.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.812 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.651 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 44.3 t 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.123 -1.398 . . . . 0.0 108.588 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.91 51.19 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.935 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB1' HD13 ' A' ' 72' ' ' ILE . . . -130.26 158.57 39.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -145.09 157.01 44.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.876 0.37 . . . . 0.0 110.537 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 54' ' ' ASN . 9.7 p -150.79 142.59 15.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.334 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.58 132.43 45.47 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.204 1.936 . . . . 0.0 111.722 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -65.96 -8.0 20.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.85 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.76 -27.62 66.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.463 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -98.47 -170.62 1.98 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.653 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.2 t -92.01 172.79 8.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.595 ' HA3' HD13 ' A' ' 42' ' ' ILE . . . -105.58 150.34 16.93 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.607 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' OD2' ' NE2' ' A' ' 74' ' ' HIS . 1.9 t70 70.49 12.54 7.43 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.349 0.66 . . . . 0.0 111.278 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.13 -10.68 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.609 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD13 ' HB1' ' A' ' 61' ' ' ALA . 15.4 tt -93.3 151.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.83 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -48.95 133.09 18.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.4 ' NE2' ' OD2' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -89.87 -179.01 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.843 -178.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.47 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.959 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -79.33 -14.94 58.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.384 0.612 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.19 -16.63 64.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.115 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 59' ' ' CYS . 8.2 m -90.18 125.73 59.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.646 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 35.2 Cg_exo -60.87 -15.18 36.71 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.444 2.763 . . . . 0.0 113.183 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.37 -29.45 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.36 -30.69 50.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.015 0.435 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 86' ' ' ILE . 40.3 mm -61.8 -46.11 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 176.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.22 78.08 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.794 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -68.3 -28.98 67.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.915 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.96 -39.55 72.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.592 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.613 HG21 HG11 ' A' ' 30' ' ' VAL . 76.7 mt -64.49 -48.12 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.257 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.77 -20.48 64.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 111.141 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -82.84 -37.97 23.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t 67.98 -173.18 0.19 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.785 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 60.53 78.69 0.31 Allowed Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.007 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.3 120.6 7.76 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.091 2.527 . . . . 0.0 112.645 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -154.55 157.22 37.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.893 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.7 tp 68.81 102.95 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.763 0.664 . . . . 0.0 111.512 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -111.28 35.16 3.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.67 100.41 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.235 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.543 -0.741 . . . . 0.0 109.867 178.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.586 0.231 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.31 40.92 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.4 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -67.74 108.31 2.9 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.095 0.474 . . . . 0.0 110.815 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 34.1 t -98.83 173.37 6.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.293 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -78.08 100.45 6.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.791 0.805 . . . . 0.0 111.338 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -144.48 68.51 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.735 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -92.91 85.78 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.862 0.839 . . . . 0.0 111.054 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -72.91 145.66 46.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.466 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -74.39 85.81 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.407 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.9 p -80.89 115.53 20.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.269 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -99.56 105.66 17.56 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.77 141.08 44.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.294 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -101.42 105.78 16.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.538 0.208 . . . . 0.0 111.122 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 61.02 -158.44 0.33 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.916 173.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -175.68 136.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.772 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 21' ' ' GLY . 10.6 tp -146.23 163.31 35.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -107.64 -166.62 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -171.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.01 153.58 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 59.35 24.58 13.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.441 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.449 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -139.11 52.66 0.72 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 171.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.415 ' HB3' ' HB3' ' A' ' 19' ' ' PHE . 64.7 mtt -107.85 125.55 51.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.391 0.615 . . . . 0.0 111.742 -170.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.0 t -154.52 -40.33 0.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.499 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.96 -57.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -57.25 -53.76 54.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -25.52 33.04 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -69.25 -28.65 66.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.982 0.42 . . . . 0.0 110.904 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.2 -42.21 23.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.432 -176.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -61.93 -45.77 92.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.291 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.84 -32.9 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.751 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -65.89 -30.98 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -49.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.713 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.3 pt -72.92 -30.48 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.957 0.408 . . . . 0.0 111.065 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -69.15 -32.33 71.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.044 0.45 . . . . 0.0 111.231 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.452 ' HA ' HD23 ' B' ' 38' ' ' LEU . 83.7 m -60.11 -28.7 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.764 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.7 75.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.588 HD13 HG13 ' B' ' 80' ' ' VAL . 4.6 pp -67.76 -23.96 65.29 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.389 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' B' ' 35' ' ' THR . 3.5 mm? -65.06 -26.09 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.75 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -91.84 -31.76 15.59 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.853 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.449 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 2.2 t -158.46 91.57 1.09 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.162 0.982 . . . . 0.0 111.323 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.7 8.96 6.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.471 170.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.442 HG21 ' ND2' ' B' ' 54' ' ' ASN . 69.7 mt -126.81 144.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.619 -174.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' B' ' 57' ' ' LYS . 4.5 tp10 -104.66 145.53 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -112.31 111.56 36.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.519 0.676 . . . . 0.0 110.765 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' B' ' 53' ' ' HIS . 6.3 m -106.61 106.29 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.929 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 36.1 t -92.66 141.85 28.02 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.03 178.97 5.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.894 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -72.55 -43.38 63.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.035 -176.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -130.59 -22.76 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.964 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.84 -101.97 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.523 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.05 -168.61 25.26 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.987 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -79.05 158.49 27.85 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.807 0.337 . . . . 0.0 111.041 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.448 ' HB2' HG23 ' B' ' 45' ' ' VAL . 86.8 m-70 -140.12 137.59 34.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.453 ' HB3' ' O ' ' B' ' 63' ' ' VAL . 18.3 t-20 -90.58 117.18 29.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.876 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -123.75 127.39 48.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 111.673 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.84 98.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 170.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' B' ' 57' ' ' LYS . 2.0 tmtp? -69.48 -21.48 63.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.194 -167.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' B' ' 78' ' ' CYS . 7.5 tp -85.57 8.17 20.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.855 -174.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 48.4 t -153.45 -42.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.131 0.491 . . . . 0.0 110.887 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 6' ' ' HIS . . . 103.17 61.29 0.7 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.406 -175.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.55 130.68 44.4 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -101.94 135.88 42.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.075 0.464 . . . . 0.0 110.773 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' B' ' 54' ' ' ASN . 7.2 p -138.56 137.82 20.96 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.721 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.16 131.96 32.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.794 2.329 . . . . 0.0 112.88 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 7.8 p90 -73.36 164.68 26.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.213 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 70.85 20.25 5.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -121.52 162.01 21.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -74.62 -25.98 59.59 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' B' ' 71' ' ' GLU . . . 73.7 -175.08 47.55 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.828 176.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.87 -28.22 0.18 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.631 0.772 . . . . 0.0 111.649 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 69' ' ' GLY . 20.3 mt-10 -56.65 -38.55 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.504 0.721 . . . . 0.0 111.563 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 9.4 tt -61.66 136.11 25.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.403 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 73' ' ' LYS . 12.0 mmtp -66.16 106.14 1.57 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.382 1.087 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -91.46 -175.02 4.09 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.502 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.64 ' HB1' ' HB2' ' A' ' 9' ' ' HIS . . . -84.21 115.18 22.3 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 168.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.768 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 53.8 m-20 -72.51 -8.83 57.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.096 0.474 . . . . 0.0 110.803 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.25 -22.35 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.984 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.588 ' HB3' HD23 ' B' ' 58' ' ' LEU . 80.6 m -64.76 127.22 92.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -177.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.916 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -52.39 -23.94 20.12 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 123.751 2.967 . . . . 0.0 113.734 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.588 HG13 HD13 ' B' ' 37' ' ' LEU . 76.7 t -61.32 -34.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.054 0.454 . . . . 0.0 110.398 177.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' B' ' 76' ' ' ASP . 33.5 t -71.21 -46.69 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.055 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.467 HG22 ' HA ' ' B' ' 79' ' ' PRO . 9.6 tp -68.7 -38.73 79.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 110.371 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.87 88.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.405 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.533 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 21.9 ptmt -67.6 -27.87 67.28 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.04 -36.4 72.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.3 mt -70.67 -44.84 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.085 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -76.17 -8.49 57.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.799 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -67.72 107.59 2.63 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p -133.3 167.7 19.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.311 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 52.3 mtt180 -71.39 114.81 31.08 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 15.6 Cg_exo -67.21 100.28 0.53 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.8 2.333 . . . . 0.0 113.286 -173.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.442 ' O ' ' HB3' ' B' ' 93' ' ' LEU . 90.4 mttt -82.14 148.85 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 168.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' B' ' 94' ' ' HIS . 56.4 tp 67.53 173.51 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -168.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.45 ' N ' ' HG ' ' B' ' 93' ' ' LEU . 81.6 t60 -93.13 114.27 26.74 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.36 -0.838 . . . . 0.0 110.826 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.41 155.53 25.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.875 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.038 -179.831 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 38' ' ' LEU . 26.8 ttt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.559 0.218 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.49 174.66 38.91 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p -78.77 -28.47 44.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.299 0.571 . . . . 0.0 110.45 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 t -98.96 145.43 27.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.684 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -75.19 123.79 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 0.0 110.55 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -134.46 145.74 49.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.881 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -136.64 143.79 43.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -158.54 112.62 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -67.24 156.02 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -74.22 80.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 t -83.0 95.05 7.9 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -81.73 44.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.427 -174.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.49 170.27 44.22 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.548 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 4.8 ppt_? -165.59 145.01 6.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.106 0.453 . . . . 0.0 111.291 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.713 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 29.8 tt0 -137.54 75.51 1.53 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -71.03 102.12 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.591 -1.186 . . . . 0.0 113.053 -167.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' HB ' ' A' ' 23' ' ' THR . 73.8 mt -137.59 135.64 36.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.652 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.01 -172.08 2.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.803 0.335 . . . . 0.0 110.7 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' B' ' 27' ' ' ALA . 66.1 m-85 -75.55 174.71 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.43 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 8.2 tt0 73.6 -52.6 0.7 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.969 0.793 . . . . 0.0 110.455 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.66 67.3 0.33 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' B' ' 22' ' ' MET . 65.5 mtp -86.03 -168.83 2.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.096 0.474 . . . . 0.0 110.561 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.504 ' HB ' HD12 ' A' ' 17' ' ' LEU . 12.6 t -152.37 -173.74 4.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.7 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.34 -52.57 25.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 15' ' ' GLU . 1.6 m -75.5 -8.29 56.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.294 -174.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -31.38 71.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.097 0.475 . . . . 0.0 110.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.04 -31.1 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.342 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.529 ' HG3' HH21 ' A' ' 31' ' ' ARG . 38.4 tt0 -75.07 -34.9 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.67 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 1.2 m-20 -60.6 -42.79 97.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.651 0.262 . . . . 0.0 110.738 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 HD13 ' A' ' 86' ' ' ILE . 16.7 t -74.6 -31.19 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.242 0.544 . . . . 0.0 109.895 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 52.3 ttp180 -63.02 -30.91 71.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.439 176.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.527 ' NZ ' ' HA ' ' A' ' 29' ' ' ASP . 28.5 mtmm -57.91 -47.93 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.759 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 30' ' ' VAL . 37.5 pt -68.15 -35.55 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.841 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -66.21 -47.15 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.713 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.9 m -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -66.3 -45.66 79.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.617 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.3 pp -70.51 -28.61 65.09 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.909 -175.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 1' ' ' MET . 3.2 mm? -69.62 -34.58 74.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 110.26 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.7 ' HG3' HG22 ' A' ' 40' ' ' THR . 48.3 tptt -71.51 -57.13 4.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.035 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.7 HG22 ' HG3' ' A' ' 39' ' ' LYS . 2.3 t -162.08 83.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.892 0.853 . . . . 0.0 112.664 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . -115.52 5.61 14.47 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.387 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.458 HG12 ' HB3' ' A' ' 56' ' ' CYS . 39.8 mt -106.83 130.92 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.779 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.0 155.73 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.378 . . . . 0.0 110.346 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.656 HG23 HD22 ' A' ' 54' ' ' ASN . 1.5 pp -98.13 132.08 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-O 121.338 0.59 . . . . 0.0 111.185 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -109.66 118.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.467 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 t -88.72 137.08 32.64 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.32 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -87.99 173.74 8.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.072 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.09 -49.25 58.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 0.0 109.948 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -132.68 -27.49 1.7 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.394 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.79 -27.8 59.59 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.988 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.31 -124.62 5.0 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.647 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.11 137.59 19.81 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 123.769 0.335 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -118.33 126.89 53.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.656 HD22 HG23 ' A' ' 44' ' ' ILE . 28.5 t-20 -109.24 106.34 16.15 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 62' ' ' SER . 23.1 pt20 -139.56 132.65 29.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.921 -173.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' HG12 ' A' ' 42' ' ' ILE . 7.4 p -84.93 117.89 24.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.155 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -78.43 -14.29 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.002 0.43 . . . . 0.0 110.742 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.582 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 10.3 tp -82.08 8.57 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.7 t -148.19 -32.85 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.25 2.22 62.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.034 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 130.0 34.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 55' ' ' GLN . 28.4 m -108.33 124.16 49.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.477 . . . . 0.0 110.749 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.773 HG12 ' H ' ' A' ' 65' ' ' TRP . 94.4 t -103.54 132.34 21.17 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.857 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 63' ' ' VAL . 20.6 Cg_exo -67.2 -4.04 10.94 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.207 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.773 ' H ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER 72.45 -37.56 0.39 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.918 0.887 . . . . 0.0 112.539 174.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.26 2.16 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.274 0.559 . . . . 0.0 109.85 171.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' HB3' ' HG2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -136.24 151.85 50.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -50.03 -33.08 17.03 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 8.01 42.04 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 65.22 14.64 9.53 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.03 0.488 . . . . 0.0 111.162 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 69.46 -67.77 0.21 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.904 0.882 . . . . 0.0 111.039 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.9 mt 69.15 108.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 123.754 0.659 . . . . 0.0 111.429 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.74 119.89 8.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -79.06 158.05 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.6 -169.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.5 129.73 41.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -80.79 -14.84 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.728 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.09 -38.61 79.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.191 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.3 m -80.73 153.38 73.02 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.949 -174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.767 ' HB2' HG23 ' B' ' 33' ' ' ILE . 40.1 Cg_endo -67.87 10.11 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.882 2.388 . . . . 0.0 112.619 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.13 -29.85 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.537 . . . . 0.0 109.676 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 14.2 m -54.65 -37.68 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.149 174.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.7 mm -70.19 -47.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.228 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -55.11 -41.7 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.793 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 84' ' ' LYS . 11.3 ptmm? -67.68 -29.44 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.055 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 81' ' ' VAL . 6.1 mm-40 -76.37 -34.51 58.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.916 0.388 . . . . 0.0 110.267 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 82' ' ' ILE . 37.7 mt -63.03 -41.0 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.966 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.585 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 64.5 tp -60.72 -30.45 69.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.4 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -84.27 46.19 1.19 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.858 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -60.55 116.45 4.35 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 61.02 79.96 0.27 Allowed Pre-proline 0 N--CA 1.467 0.388 0 O-C-N 123.746 0.654 . . . . 0.0 109.866 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -79.94 85.43 1.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.885 2.39 . . . . 0.0 112.478 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.471 ' HE2' ' HB2' ' A' ' 95' ' ' ALA . 24.5 ttpt 63.39 -173.55 0.16 Allowed 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.753 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' H ' ' HG2' ' A' ' 92' ' ' LYS . 36.9 tp -64.42 -43.77 93.3 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.026 -0.421 . . . . 0.0 110.896 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -139.26 -84.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.426 175.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB2' ' HE2' ' A' ' 92' ' ' LYS . . . 59.33 -167.65 0.16 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.757 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.833 175.542 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.75 21.79 69.52 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.764 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 p -101.22 108.39 20.03 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.737 0.303 . . . . 0.0 110.506 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 21.3 t -155.6 134.57 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.279 0.561 . . . . 0.0 110.865 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -137.51 147.86 45.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -67.81 -48.24 66.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.383 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 58.78 -166.41 0.17 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.521 0.513 . . . . 0.0 110.557 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -151.14 94.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.442 . . . . 0.0 110.292 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.92 -60.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t60 58.57 94.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.671 0.607 . . . . 0.0 110.801 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 20.8 m -75.89 159.1 31.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.623 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 14.2 t -141.73 103.8 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.187 0.518 . . . . 0.0 110.451 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.87 131.76 5.87 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -125.57 154.4 42.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.032 0.416 . . . . 0.0 110.074 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.492 ' HB3' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -98.19 124.18 42.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.322 0.582 . . . . 0.0 111.746 -176.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -132.17 101.56 5.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.643 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.4 mm? 68.75 162.09 0.21 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.007 0.817 . . . . 0.0 111.195 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -106.28 -170.58 1.75 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.202 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.526 ' HA ' ' HG2' ' B' ' 22' ' ' MET . 90.0 m-85 -78.22 -170.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.559 -175.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 19.5 tm0? 78.09 -27.59 0.17 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.961 0.788 . . . . 0.0 110.329 -176.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' B' ' 19' ' ' PHE . . . -123.28 26.33 6.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.815 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' B' ' 19' ' ' PHE . 18.2 mmt -91.83 140.11 30.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.069 0.461 . . . . 0.0 110.939 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.0 m -123.92 -59.93 1.47 Allowed 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.758 -171.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -105.24 -83.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -167.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 -10.06 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -164.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.47 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.687 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.526 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -61.88 -29.62 70.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.72 -36.81 19.97 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.59 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.21 -41.93 99.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.972 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 33' ' ' ILE . 64.5 t -69.03 -41.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.74 0.305 . . . . 0.0 111.454 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -69.95 -27.39 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.134 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -56.62 -55.86 28.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.767 HG23 ' HB2' ' A' ' 79' ' ' PRO . 1.3 pt -66.06 -42.21 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.072 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.97 74.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.379 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.7 m -64.68 -41.24 96.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -61.36 -43.4 98.94 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.68 -177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.72 ' HA ' ' CB ' ' B' ' 41' ' ' ALA . 3.4 pp -73.87 -24.92 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.66 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' B' ' 37' ' ' LEU . 1.8 mm? -79.1 -42.41 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.343 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.642 ' HG3' HG22 ' B' ' 40' ' ' THR . 19.8 ptmt -80.84 -44.52 18.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -167.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.642 HG22 ' HG3' ' B' ' 39' ' ' LYS . 13.6 t -156.1 13.95 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.152 -170.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.72 ' CB ' ' HA ' ' B' ' 37' ' ' LEU . . . -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.139 0.495 . . . . 0.0 110.696 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.672 HD13 ' HA ' ' B' ' 56' ' ' CYS . 8.4 mt -88.65 -122.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.876 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -158.71 149.79 20.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.5 0.667 . . . . 0.0 110.871 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB1' ' B' ' 52' ' ' ALA . 21.3 mm -87.77 126.84 41.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.737 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.88 106.89 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 170.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.573 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 16.9 p -95.23 141.94 28.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.375 -174.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' B' ' 49' ' ' ASP . 39.8 mt-10 -76.87 98.58 4.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.693 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.41 -78.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.145 0.903 . . . . 0.0 111.693 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' B' ' 47' ' ' GLU . 20.9 t70 -142.99 -28.93 0.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.609 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -78.4 0.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.155 -0.545 . . . . 0.0 114.226 -170.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.75 165.71 28.52 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.855 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -135.39 133.37 38.63 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.654 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -121.41 132.75 54.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.697 0.284 . . . . 0.0 110.823 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.469 ' HB3' HG13 ' B' ' 63' ' ' VAL . 43.3 t30 -96.26 113.23 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -106.59 114.9 29.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.672 ' HA ' HD13 ' B' ' 42' ' ' ILE . 49.0 t -80.29 107.86 13.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.571 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.1 OUTLIER -68.54 -11.28 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 179.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -88.08 0.94 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.501 -173.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.498 ' HA ' ' SG ' ' B' ' 78' ' ' CYS . 20.9 p -159.7 -31.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.31 18.05 25.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.963 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.531 ' HB3' HG23 ' B' ' 72' ' ' ILE . . . -96.9 163.91 12.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.558 0.218 . . . . 0.0 110.861 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' B' ' 54' ' ' ASN . 7.5 p -135.83 135.98 22.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.907 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.49 150.16 61.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.728 2.285 . . . . 0.0 112.441 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.486 ' HE3' ' H ' ' B' ' 65' ' ' TRP . 3.4 p90 -57.27 -18.13 15.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.87 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.03 -23.17 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.72 0.295 . . . . 0.0 111.413 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.99 170.3 9.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.415 HG23 ' H ' ' B' ' 69' ' ' GLY . 0.6 OUTLIER -113.54 -68.86 0.9 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -172.341 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.415 ' H ' HG23 ' B' ' 68' ' ' THR . . . -146.54 -9.35 0.25 Allowed Glycine 0 C--N 1.334 0.45 0 C-N-CA 119.033 -1.556 . . . . 0.0 114.862 -168.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.81 -11.77 60.48 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.545 0.673 . . . . 0.0 110.16 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -100.14 8.57 43.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.682 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.531 HG23 ' HB3' ' B' ' 61' ' ' ALA . 42.3 mm -94.29 115.16 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.874 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.683 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -170.03 -113.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.546 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -76.7 142.72 40.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.097 0.475 . . . . 0.0 111.972 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.73 -19.8 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.913 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.07 -21.11 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.042 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.523 ' O ' HG22 ' B' ' 81' ' ' VAL . 57.3 m -87.49 127.68 57.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.635 -175.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 27.1 Cg_exo -64.03 -3.79 6.53 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.179 2.586 . . . . 0.0 113.243 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.02 -38.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 78' ' ' CYS . 18.5 m -62.08 -37.42 78.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.999 0.428 . . . . 0.0 111.06 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.473 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.2 mm -66.98 -51.32 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 33' ' ' ILE . . . -57.67 -45.66 85.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.086 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.26 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.47 -37.05 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.596 0.236 . . . . 0.0 110.948 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 82' ' ' ILE . 77.7 mt -61.58 -43.63 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.924 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -76.5 -13.19 60.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.622 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.0 m -82.28 56.0 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.362 0.601 . . . . 0.0 110.454 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.0 t -149.95 119.16 6.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.09 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -93.57 148.49 35.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.95 139.67 84.89 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.913 2.409 . . . . 0.0 112.27 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.571 ' HD2' ' O ' ' B' ' 92' ' ' LYS . 0.4 OUTLIER -88.12 -2.5 58.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.508 HD23 ' N ' ' B' ' 94' ' ' HIS . 5.0 tt 72.38 138.62 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.508 ' N ' HD23 ' B' ' 93' ' ' LEU . 12.7 t60 -79.05 104.98 10.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.276 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.02 -146.9 0.4 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.635 0.584 . . . . 0.0 112.008 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.249 1.064 0 C-N-CA 124.911 1.284 . . . . 0.0 113.155 -179.061 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.02 71.15 0.9 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.753 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -82.76 121.77 27.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.06 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -105.41 137.21 43.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -112.24 -73.28 0.68 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 64.7 175.99 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.025 -173.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.6 m80 54.86 47.55 22.05 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.372 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -82.56 36.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.716 -173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 69.64 177.21 0.27 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.868 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -121.85 93.65 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.062 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.0 m -95.16 -169.12 1.92 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.098 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m 75.27 86.74 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.037 0.836 . . . . 0.0 111.329 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.6 167.03 51.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.086 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.32 99.91 9.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.901 0.382 . . . . 0.0 111.226 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -139.35 -83.88 0.26 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t30 61.64 107.35 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.723 ' HB2' ' H ' ' A' ' 22' ' ' MET . 5.6 mp -115.32 15.76 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' A' ' 22' ' ' MET . 55.1 t80 64.85 171.54 0.2 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.262 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HE2' HD13 ' B' ' 86' ' ' ILE . 80.5 m-85 -78.49 27.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.03 -0.419 . . . . 0.0 112.067 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.746 ' HG3' ' HA ' ' B' ' 23' ' ' THR . 24.2 tt0 -121.13 12.61 11.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -108.72 0.27 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.465 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.723 ' H ' ' HB2' ' A' ' 17' ' ' LEU . 20.9 mmt 68.47 131.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.807 0.813 . . . . 0.0 111.847 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -71.87 0.35 Allowed 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.196 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -139.78 -10.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.841 0.829 . . . . 0.0 108.975 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.487 ' HA ' ' CG ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -63.52 -12.77 34.96 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.729 -173.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.2 94.39 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.07 58.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' CG ' ' HA ' ' A' ' 25' ' ' THR . 6.4 mm-40 -64.67 -50.11 68.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.414 -174.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 26.8 t70 -83.97 -40.27 18.69 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.65 -30.61 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.829 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.6 ttp-105 -56.7 -36.55 69.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.4 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 28.1 ttmt -61.07 -45.73 93.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.59 -41.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.287 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.18 -43.98 93.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.884 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.1 m -62.77 -31.7 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.92 18.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.052 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -64.11 -24.39 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -175.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.21 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.992 0.425 . . . . 0.0 110.749 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.1 -55.86 3.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.79 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 57' ' ' LYS . 11.6 p -99.07 50.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HB1' ' B' ' 41' ' ' ALA . . . -139.74 7.52 2.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.639 0.733 . . . . 0.0 109.482 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 55' ' ' GLN . 3.0 mp -115.63 136.82 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.128 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.27 143.2 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.22 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' A' ' 54' ' ' ASN . 17.5 pt -102.43 112.59 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.063 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.26 124.8 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 17.7 t -81.92 138.41 35.0 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.249 0.547 . . . . 0.0 109.968 -177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.04 153.71 48.13 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.953 -174.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.59 -23.83 61.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.552 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -50.85 -64.04 0.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.069 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.56 -2.52 1.48 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.832 -177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.95 133.38 3.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.333 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . 28.94 85.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -82.71 113.04 20.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.093 0.473 . . . . 0.0 110.072 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' HA ' HG22 ' A' ' 44' ' ' ILE . 42.8 t-20 -81.18 104.59 11.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.85 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 26.8 tt0 -128.12 123.56 34.78 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.431 ' HA ' HG13 ' A' ' 42' ' ' ILE . 3.9 p -65.04 119.42 10.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.297 170.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' B' ' 40' ' ' THR . 73.9 tttt -77.38 -6.94 55.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.45 -167.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD11 ' HB1' ' B' ' 36' ' ' ALA . 12.7 tp -75.73 -55.22 5.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.146 -176.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -102.63 -24.67 13.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.467 . . . . 0.0 110.995 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.47 61.76 1.61 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.3 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.66 40.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.85 ' HB3' ' HB2' ' A' ' 55' ' ' GLN . 59.4 p -122.53 162.64 21.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.372 0.606 . . . . 0.0 112.546 -173.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -133.43 142.98 46.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.348 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 127.07 23.07 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.896 2.398 . . . . 0.0 111.996 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -63.31 -28.79 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.062 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.02 17.4 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.682 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.558 ' HG2' HG22 ' A' ' 68' ' ' THR . 30.0 tt0 -87.09 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.558 HG22 ' HG2' ' A' ' 67' ' ' GLN . 8.3 t 176.75 -35.97 0.01 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.58 -157.68 34.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.662 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 64.98 -72.72 0.06 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.347 0.659 . . . . 0.0 112.28 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.97 99.99 3.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.621 0.724 . . . . 0.0 111.203 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.14 112.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.471 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -68.08 104.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.161 0.505 . . . . 0.0 110.182 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -95.66 177.51 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.675 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.6 150.97 23.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.23 -13.57 62.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.517 0.675 . . . . 0.0 110.251 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -82.69 -12.76 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.909 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.6 m -86.64 135.42 36.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.484 -176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.22 2.85 2.42 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.884 2.39 . . . . 0.0 112.399 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.33 -29.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.088 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.76 -51.07 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' ' 86' ' ' ILE . 6.3 tp -64.99 -44.15 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.473 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' HD13 ' B' ' 33' ' ' ILE . . . -55.55 -41.67 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.68 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 86.0 tttt -64.25 -36.97 85.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.274 0.559 . . . . 0.0 110.815 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.22 -37.59 83.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 82' ' ' ILE . 50.5 mm -62.65 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.829 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -70.0 -15.55 63.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.493 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 t -86.51 -37.85 17.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.507 ' OG ' ' HD3' ' A' ' 31' ' ' ARG . 32.8 m 65.0 17.38 11.06 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.12 174.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 23.3 ptt180 -141.63 154.36 66.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.567 0.222 . . . . 0.0 110.73 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 12.8 Cg_exo -70.4 116.24 4.54 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.692 2.261 . . . . 0.0 111.373 174.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -95.42 134.84 37.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 178.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.75 155.21 30.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.254 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 50.78 89.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.205 0.941 . . . . 0.0 112.955 172.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.57 159.04 15.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.124 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.158 178.759 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.39 157.21 51.9 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.935 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -77.29 125.97 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.626 0.25 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -94.57 117.49 30.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.86 0.362 . . . . 0.0 110.409 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -111.42 138.97 47.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -89.63 116.37 27.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -144.13 90.52 2.12 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -168.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -175.5 140.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.366 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -127.11 168.29 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -169.39 174.63 5.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.523 0.201 . . . . 0.0 111.482 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m 72.55 26.65 2.48 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 124.013 0.82 . . . . 0.0 112.817 172.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . 0.536 ' HB3' ' NH1' ' B' ' 14' ' ' ARG . 19.9 m -69.21 102.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 172.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.92 99.22 2.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.387 -173.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.536 ' NH1' ' HB3' ' B' ' 12' ' ' SER . 6.3 mpt_? -115.99 101.28 8.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.08 125.72 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 61.25 -166.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.692 0.62 . . . . 0.0 110.997 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp 69.9 114.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.842 0.714 . . . . 0.0 111.375 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -77.67 -42.32 35.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.539 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -142.59 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -72.92 70.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.512 0.508 . . . . 0.0 111.665 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.28 117.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.653 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.14 102.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.299 0.571 . . . . 0.0 110.703 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.785 HG23 ' H ' ' B' ' 25' ' ' THR . 13.0 t 174.63 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.987 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.24 -30.17 68.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 0.0 110.996 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.785 ' H ' HG23 ' B' ' 23' ' ' THR . 10.2 m -76.32 -33.94 59.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.575 -175.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.94 93.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.02 81.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.327 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' B' ' 31' ' ' ARG . 10.6 tp10 -61.49 -42.69 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.273 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.25 -53.75 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 111.066 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.45 -34.68 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 1.8 tmt_? -60.92 -42.06 97.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.376 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -57.1 -46.33 82.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.381 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 83' ' ' ALA . 32.9 mt -64.42 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.775 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -63.9 -39.26 93.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.478 -174.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.1 m -66.21 -32.62 74.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -71.96 -42.64 66.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.367 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 34' ' ' ALA . 4.6 pp -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 110.826 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.99 -26.45 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.53 0.681 . . . . 0.0 109.95 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -90.65 -44.02 9.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.469 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.449 HG22 ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -133.14 31.1 3.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -168.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HB1' ' A' ' 41' ' ' ALA . . . -117.68 31.16 6.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.384 0.611 . . . . 0.0 110.748 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 47.2 mt -120.27 134.14 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.726 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -106.16 152.81 22.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 pt -110.47 111.24 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-O 121.103 0.478 . . . . 0.0 110.326 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 m -106.89 106.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.467 0.651 . . . . 0.0 110.464 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.756 ' HA ' ' H ' ' B' ' 52' ' ' ALA . 14.1 m -107.82 138.28 44.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.187 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.556 ' H ' ' HA3' ' B' ' 51' ' ' GLY . 56.4 mm-40 -75.24 158.4 32.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.792 0.329 . . . . 0.0 110.607 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.96 -36.61 72.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.887 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -89.45 -65.79 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.148 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.99 -86.09 0.55 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.704 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.556 ' HA3' ' H ' ' B' ' 47' ' ' GLU . . . 54.27 -121.84 21.39 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-O 121.467 0.482 . . . . 0.0 112.851 -175.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.756 ' H ' ' HA ' ' B' ' 46' ' ' SER . . . 77.57 84.05 0.08 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.473 -1.364 . . . . 0.0 111.422 177.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -129.08 120.15 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.384 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -95.93 107.41 19.67 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -140.55 146.16 37.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.327 0.584 . . . . 0.0 111.39 -172.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.0 t -84.72 145.67 27.81 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 40' ' ' THR . 74.0 mmtt -53.16 -38.33 62.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.084 0.468 . . . . 0.0 111.726 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.78 6.77 26.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 16.8 t 65.32 21.29 11.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.212 0.53 . . . . 0.0 110.664 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.77 92.92 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.474 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.17 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -137.02 124.72 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' HD2' ' B' ' 64' ' ' PRO . 13.5 p -151.92 143.24 15.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.421 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 10.1 Cg_endo -52.38 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.048 2.499 . . . . 0.0 113.376 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 57.66 -166.67 0.14 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.124 176.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.13 84.48 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.445 ' O ' ' HB ' ' B' ' 68' ' ' THR . 7.2 tt0 -155.02 107.99 2.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.421 -177.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' B' ' 67' ' ' GLN . 91.6 m 74.91 142.82 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.381 0.61 . . . . 0.0 111.606 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.06 148.16 17.82 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.941 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 34.6 t70 71.86 -53.39 0.69 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.642 0.777 . . . . 0.0 111.682 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.87 80.01 7.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.685 0.278 . . . . 0.0 110.624 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -167.05 161.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.155 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.87 128.21 33.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.388 . . . . 0.0 110.246 174.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -135.07 155.03 51.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.942 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.57 126.16 28.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.293 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.36 -25.44 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.25 0.548 . . . . 0.0 110.541 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.2 -17.2 60.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.737 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.528 ' SG ' HG22 ' B' ' 80' ' ' VAL . 15.9 t -74.89 130.0 82.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.813 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 78' ' ' CYS . 25.7 Cg_exo -63.37 -13.29 35.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.314 2.676 . . . . 0.0 113.05 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.528 HG22 ' SG ' ' B' ' 78' ' ' CYS . 31.5 m -64.24 -29.4 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.316 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.07 -48.33 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 120.697 0.284 . . . . 0.0 111.41 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.505 ' O ' HG13 ' B' ' 86' ' ' ILE . 2.7 pp -74.9 -31.75 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.786 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.27 -53.07 62.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.653 0.263 . . . . 0.0 111.062 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.548 ' HA ' ' CD2' ' B' ' 87' ' ' LEU . 0.0 OUTLIER -63.55 -28.67 70.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.547 176.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.36 -40.8 94.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.716 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.546 HD13 ' HE2' ' A' ' 19' ' ' PHE . 91.1 mt -66.78 -45.69 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.315 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.548 ' CD2' ' HA ' ' B' ' 84' ' ' LYS . 3.0 pp -66.45 -24.97 66.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 t -75.59 -54.26 7.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.496 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t 63.93 3.1 1.54 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.38 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.9 137.41 19.28 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.15 96.68 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.458 2.105 . . . . 0.0 111.724 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -68.15 121.88 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.97 138.26 56.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.821 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -70.72 107.43 3.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.899 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.73 129.23 9.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.516 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.246 0.888 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.769 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.727 0.299 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.72 104.31 2.81 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.031 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -152.85 110.62 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 p -66.57 104.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.44 0.638 . . . . 0.0 110.949 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' B' ' 77' ' ' ASP . 60.3 t-80 -102.77 127.82 49.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.833 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -123.51 179.64 4.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -82.45 153.07 25.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.328 0.585 . . . . 0.0 111.494 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -125.74 76.8 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -122.64 97.86 5.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.951 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -104.24 -50.31 3.38 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -148.26 148.89 30.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.534 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 p -138.98 103.15 4.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.97 -138.93 2.52 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.962 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HD3' ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -132.45 7.61 4.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.139 0.495 . . . . 0.0 110.453 178.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 16' ' ' ASN . 1.1 pm0 -80.31 166.01 21.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.518 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 6.1 t30 74.95 149.55 0.1 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.91 0.757 . . . . 0.0 110.912 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.93 -170.92 1.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.278 0.561 . . . . 0.0 111.005 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -107.47 92.27 4.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.394 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CE1' HG21 ' B' ' 30' ' ' VAL . 56.3 m-85 68.14 -46.6 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.284 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.14 -35.43 71.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.27 0.557 . . . . 0.0 110.273 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.46 123.94 3.53 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.548 ' HB2' ' HB3' ' B' ' 19' ' ' PHE . 1.1 mmt -133.27 174.86 9.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.005 0.402 . . . . 0.0 110.698 -173.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -122.5 -178.03 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.84 -35.71 74.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.5 m -56.71 -28.52 61.09 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.715 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.14 67.37 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.515 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.442 ' HA ' ' CE2' ' B' ' 19' ' ' PHE . . . -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.685 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 36.1 tt0 -75.68 -46.46 31.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.26 -54.58 43.62 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.25 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.48 -37.99 81.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 87' ' ' LEU . 47.5 ttt180 -67.5 -43.78 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.709 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 27.3 mtpp -63.83 -42.69 97.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.821 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 77.8 mt -67.15 -51.37 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . . . -57.69 -35.76 71.05 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 112.078 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -72.67 -31.79 65.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.74 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -70.24 -32.36 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 40' ' ' THR . 13.4 mt -60.59 -39.4 87.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.8 -36.61 67.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.57 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -91.44 -15.63 28.58 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 37' ' ' LEU . 6.8 t -105.68 -22.44 12.96 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.33 -19.03 19.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.23 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.89 112.74 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 159.46 15.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.532 0.682 . . . . 0.0 111.768 -173.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.2 pp -111.61 124.27 68.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.645 169.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -103.83 113.88 41.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.462 0.649 . . . . 0.0 110.794 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.4 p -83.75 141.27 31.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.249 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 43.4 mt-10 -90.0 -179.37 5.68 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.582 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -91.01 -17.53 26.14 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 109.916 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -143.38 -50.34 0.33 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.163 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.4 -29.87 67.07 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 114.964 0.745 . . . . 0.0 114.964 -170.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' H ' ' HB2' ' A' ' 47' ' ' GLU . . . 135.62 -124.23 3.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.962 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.11 144.81 25.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.82 0.343 . . . . 0.0 110.537 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.23 138.79 54.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 62' ' ' SER . 22.1 t-20 -82.75 128.22 34.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -130.03 142.15 50.65 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.231 0.539 . . . . 0.0 111.185 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 15.7 p -116.54 88.81 2.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 3.0 ttmp? -55.42 -24.21 29.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.002 -174.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.4 -37.19 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 32.5 t -99.73 -38.06 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.5 9.4 41.15 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.419 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -92.21 159.43 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.657 0.265 . . . . 0.0 111.006 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 19.5 p -161.59 143.4 11.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.001 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 64' ' ' PRO . 1.6 p -149.98 156.69 38.06 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 63' ' ' VAL . 3.8 Cg_exo -42.1 128.15 4.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.883 2.389 . . . . 0.0 112.025 172.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -60.93 -23.54 65.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.569 -171.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 tp -93.03 35.03 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -157.45 131.69 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 71' ' ' GLU . 36.2 m -67.22 -51.09 57.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.03 67.28 2.3 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 113.528 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 61.26 24.63 14.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.417 0.287 . . . . 0.0 111.436 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 72' ' ' ILE . 29.2 tt0 59.1 46.93 12.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 71' ' ' GLU . 5.0 tp 66.86 -3.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.421 1.488 . . . . 0.0 112.908 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? 67.46 141.76 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.319 0.581 . . . . 0.0 110.998 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -129.42 145.56 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.062 -0.399 . . . . 0.0 110.501 -176.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 162.66 14.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.457 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.01 -32.04 73.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.384 0.611 . . . . 0.0 110.135 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.11 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.723 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 80' ' ' VAL . 72.1 m -80.79 122.13 81.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.886 0.374 . . . . 0.0 111.178 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 26.4 Cg_exo -63.87 -15.41 48.88 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.047 2.498 . . . . 0.0 112.389 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 78' ' ' CYS . 28.3 m -61.99 -30.05 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.39 -34.26 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 121.211 0.529 . . . . 0.0 109.916 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 86' ' ' ILE . 43.0 mm -70.18 -49.82 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.111 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' B' ' 33' ' ' ILE . . . -57.44 -41.94 81.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.95 -47.07 87.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.401 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.462 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.9 mt -60.71 -42.67 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.555 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.637 ' HB2' ' HG3' ' A' ' 31' ' ' ARG . 4.6 pp -80.36 -6.39 57.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.81 0.338 . . . . 0.0 111.441 -176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.0 m -103.71 29.61 5.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.933 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -55.15 -39.57 69.61 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.65 0.738 . . . . 0.0 109.403 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -95.46 121.49 61.62 Favored Pre-proline 0 N--CA 1.448 -0.568 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 169.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -47.74 114.28 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.586 2.857 . . . . 0.0 113.275 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -56.41 140.49 45.47 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.852 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt -49.16 109.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 0.0 111.545 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -135.55 128.84 32.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.115 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.6 98.09 11.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.276 -175.006 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.42 95.93 0.19 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -74.09 142.12 45.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.383 . . . . 0.0 110.973 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -84.59 149.1 26.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -126.95 115.46 19.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -96.18 110.14 22.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.726 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -87.28 148.59 25.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.427 0.632 . . . . 0.0 112.367 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -117.69 139.49 50.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.237 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' B' ' 10' ' ' HIS . 10.0 p80 -157.9 179.25 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 177.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 9' ' ' HIS . 1.5 m170 75.81 112.29 0.07 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.988 0.805 . . . . 0.0 110.37 -173.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -147.2 95.45 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.659 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.0 m -103.09 -31.25 10.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.409 0.623 . . . . 0.0 109.501 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.07 -175.74 33.86 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.188 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' B' ' 14' ' ' ARG . 54.5 mtt180 69.55 117.95 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.904 0.859 . . . . 0.0 112.141 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' B' ' 15' ' ' GLU . 0.4 OUTLIER -98.67 -6.31 29.94 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.878 172.426 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 61.18 -165.44 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.752 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.3 82.34 8.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.544 ' O ' ' HG2' ' B' ' 22' ' ' MET . 2.8 p90 -64.33 -29.63 70.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.154 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 22' ' ' MET . 49.4 m-85 -73.1 161.58 30.46 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.378 175.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.52 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 42.5 tp60 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.593 0.558 . . . . 0.0 111.472 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.03 50.71 1.18 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.115 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 13.4 mmt -111.82 162.24 15.48 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 111.375 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.404 HG22 ' H ' ' B' ' 24' ' ' ASP . 0.8 OUTLIER -104.75 171.94 7.06 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.278 177.611 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.404 ' H ' HG22 ' B' ' 23' ' ' THR . 1.8 m-20 -58.21 -25.07 61.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.224 0.535 . . . . 0.0 111.038 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -72.0 -13.14 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.732 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.46 -38.45 84.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.292 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.541 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -74.8 -39.46 61.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.481 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 13.7 t70 -72.94 -27.59 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.179 0.514 . . . . 0.0 110.144 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' A' ' 19' ' ' PHE . 88.5 t -72.49 -40.57 63.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.924 172.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 11.5 ttm-85 -60.64 -34.97 75.06 Favored 'General case' 0 N--CA 1.461 0.09 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.566 ' HB3' ' O ' ' B' ' 29' ' ' ASP . 16.8 tptm -52.11 -46.82 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.835 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 83' ' ' ALA . 39.2 mt -74.12 -45.58 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.509 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.86 -31.31 72.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.343 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.3 m -58.25 -30.58 66.67 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.4 71.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.397 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 18.8 mt -65.8 -41.79 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.39 -25.55 65.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.999 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -88.06 -54.08 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.0 88.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.226 1.013 . . . . 0.0 111.917 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -132.6 6.3 4.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.185 171.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 49.6 mm -113.01 122.56 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.68 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 7.1 pt-20 -104.75 150.37 24.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.022 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 pt -99.52 114.89 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-O 121.351 0.596 . . . . 0.0 111.312 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -90.78 122.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.682 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -84.34 140.95 31.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.205 0.526 . . . . 0.0 110.737 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.408 ' OE1' ' HA3' ' B' ' 51' ' ' GLY . 39.8 mt-10 -80.91 135.77 35.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.315 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.15 -29.64 70.96 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 123.396 0.435 . . . . 0.0 110.532 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.66 -26.85 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.878 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.22 66.49 0.2 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.408 ' HA3' ' OE1' ' B' ' 47' ' ' GLU . . . -162.92 -159.79 10.71 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.11 145.33 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.133 0.492 . . . . 0.0 111.415 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -132.62 142.07 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.089 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.771 HD21 ' HA ' ' B' ' 65' ' ' TRP . 31.6 m-80 -82.05 129.88 34.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 8.6 tt0 -152.21 142.02 21.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.249 0.547 . . . . 0.0 111.721 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.64 125.17 48.25 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 166.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.21 -3.3 3.74 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.773 HD23 ' HD2' ' B' ' 79' ' ' PRO . 10.2 mp -83.11 -3.87 57.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.499 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 65.2 m 74.31 21.67 2.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.081 0.552 . . . . 0.0 111.038 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . 0.552 ' HA2' ' HB3' ' B' ' 75' ' ' ALA . . . -79.04 -46.22 8.43 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.13 144.7 24.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 10.5 t -157.93 134.56 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.625 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.46 HG11 ' HA2' ' B' ' 69' ' ' GLY . 14.6 p -156.21 145.55 15.19 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.328 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.77 147.75 1.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.989 2.459 . . . . 0.0 112.153 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.771 ' HA ' HD21 ' B' ' 54' ' ' ASN . 0.5 OUTLIER -80.09 164.61 23.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.888 -175.463 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 9.5 mp 71.81 11.93 6.25 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.646 0.591 . . . . 0.0 110.605 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.65 164.23 16.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.7 m -70.69 105.1 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.933 0.396 . . . . 0.0 110.751 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.46 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . -102.11 55.13 0.73 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.574 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.31 -36.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.657 0.265 . . . . 0.0 111.072 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.21 13.46 25.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.642 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.482 HG23 ' O ' ' B' ' 72' ' ' ILE . 0.0 OUTLIER -101.36 95.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.586 0.707 . . . . 0.0 110.558 -176.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 65.96 162.05 0.15 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.838 173.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -153.71 139.65 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.1 -0.375 . . . . 0.0 110.169 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' HA2' ' B' ' 60' ' ' GLY . . . -104.45 117.14 33.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . 0.53 ' HB3' ' CE1' ' A' ' 5' ' ' HIS . 32.6 m-20 -73.07 -16.62 61.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.512 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 69.6 m -85.95 125.42 68.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.741 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.773 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.2 Cg_exo -57.54 -28.12 79.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.188 2.592 . . . . 0.0 112.952 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.416 HG23 HD22 ' B' ' 58' ' ' LEU . 61.7 t -64.35 -39.2 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.615 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 67.9 t -68.44 -40.14 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -75.75 -35.23 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.09 99.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.719 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 21.8 pttp -64.73 -28.07 69.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.576 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -75.57 -30.44 59.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.482 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 82' ' ' ILE . 70.9 mt -60.76 -50.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.444 176.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.611 ' HB2' ' HG3' ' B' ' 31' ' ' ARG . 4.6 pp -68.95 -18.08 64.03 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.401 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.5 m -85.35 -55.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.287 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t 68.71 -67.12 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.779 0.674 . . . . 0.0 111.472 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -170.23 83.16 0.58 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.916 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.35 73.09 6.18 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.863 2.375 . . . . 0.0 112.614 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.1 tttp 173.17 126.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.44 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 51.4 tp -69.17 140.47 54.66 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -87.35 80.01 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.97 101.38 8.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.1 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.099 -178.837 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.2 100.99 0.2 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.144 -1.027 . . . . 0.0 113.058 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -123.07 85.94 2.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -99.66 97.23 8.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.306 0.574 . . . . 0.0 111.217 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -122.22 93.72 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.772 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -103.94 113.39 26.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.798 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.74 -179.57 3.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.289 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -139.21 122.21 16.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.177 0.513 . . . . 0.0 111.875 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -145.21 166.05 26.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.137 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -133.77 -78.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.408 -0.517 . . . . 0.0 112.026 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -82.44 154.14 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.388 0.613 . . . . 0.0 112.236 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -104.29 177.2 4.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.31 175.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.24 161.42 19.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.775 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.23 104.4 16.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -110.09 108.73 19.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.827 0.346 . . . . 0.0 110.304 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.563 HD22 ' H ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -82.49 52.28 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.62 0.724 . . . . 0.0 111.379 -179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp -139.02 129.29 25.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.556 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -97.07 169.92 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -72.72 88.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.244 0.545 . . . . 0.0 112.381 -172.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -139.99 -85.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.13 69.46 1.34 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 170.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.9 tpt -73.97 145.48 44.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.358 . . . . 0.0 110.655 -172.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.74 0.4 20.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.917 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' B' ' 19' ' ' PHE . 35.6 t70 74.41 -41.73 0.48 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.764 0.826 . . . . 0.0 112.119 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -57.91 -16.68 12.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.107 0.48 . . . . 0.0 111.476 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -57.45 -27.24 62.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.84 65.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.181 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 9.6 tp10 -61.14 -45.77 93.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.472 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 7.6 m-20 -77.7 -31.31 52.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 0.0 111.225 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 26' ' ' ALA . 67.9 t -69.25 -33.87 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 36.0 ptt180 -73.22 -27.94 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.816 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 93.5 mttt -58.28 -50.91 71.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.708 0.289 . . . . 0.0 110.465 174.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.61 HG22 ' HB2' ' B' ' 79' ' ' PRO . 40.0 pt -69.16 -29.69 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.544 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HB1' ' HB1' ' A' ' 83' ' ' ALA . . . -64.97 -32.7 74.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.582 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -76.49 -30.3 57.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.039 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.93 -26.55 68.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.338 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.46 -43.45 98.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.688 ' HA ' HG12 ' A' ' 42' ' ' ILE . 9.7 mp -70.25 -26.16 63.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.608 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.661 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -76.3 -18.68 58.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.754 ' HB ' ' HB1' ' B' ' 41' ' ' ALA . 21.0 p -117.36 -54.22 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 -20.14 54.72 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.897 0.38 . . . . 0.0 111.386 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.688 HG12 ' HA ' ' A' ' 38' ' ' LEU . 28.6 mm -93.43 105.98 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -133.02 135.81 45.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.747 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -89.98 122.38 41.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.016 -175.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.46 109.56 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.463 0.649 . . . . 0.0 109.353 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 p -74.66 133.37 42.12 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.399 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.22 140.69 36.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.82 -27.56 68.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.84 -22.31 65.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.53 20.05 6.74 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.512 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.5 -167.22 23.66 Favored Glycine 0 N--CA 1.436 -1.311 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.45 124.94 3.7 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.916 0.389 . . . . 0.0 111.908 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -113.69 110.42 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.645 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 60.1 t30 -82.68 106.92 14.93 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -110.65 137.11 48.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.679 0.752 . . . . 0.0 112.371 -170.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 7.6 p -98.3 132.52 43.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 168.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -85.92 -131.85 0.05 Allowed 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp 67.06 -61.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.252 0.621 . . . . 0.0 111.366 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.52 -14.25 10.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.175 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.83 70.77 1.34 Allowed Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.722 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.94 144.63 50.95 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m -100.65 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.099 0.476 . . . . 0.0 111.587 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.9 t -132.36 139.64 35.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.045 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.618 ' HD2' ' HB2' ' A' ' 70' ' ' ASP . 75.5 Cg_exo -51.62 128.55 26.49 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.67 2.247 . . . . 0.0 112.002 172.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -64.52 -41.39 96.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.372 -174.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.92 32.53 0.74 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 111.975 -173.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -142.41 149.14 38.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.3 t -66.28 -7.48 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.532 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.84 137.49 2.83 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.618 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 15.4 t70 -90.77 -11.88 38.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 0.0 109.618 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 58.04 36.93 26.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.317 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.65 144.52 5.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.771 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -58.39 141.68 50.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.442 0.639 . . . . 0.0 111.613 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -125.28 174.43 8.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.671 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB3' ' SG ' ' A' ' 78' ' ' CYS . . . -68.52 147.57 51.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.725 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.17 -17.98 64.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.212 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.891 ' HA ' ' HA ' ' B' ' 12' ' ' SER . 14.7 t70 -89.4 -1.6 58.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.58 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 95.7 m -83.5 124.7 75.3 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.289 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 78' ' ' CYS . 31.1 Cg_exo -62.52 -17.44 58.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.127 2.552 . . . . 0.0 112.265 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.07 -31.02 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.993 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 54.7 t -63.04 -40.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.392 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.635 HD11 ' H ' ' B' ' 14' ' ' ARG . 50.3 mm -65.34 -45.81 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' HB1' ' HB1' ' A' ' 34' ' ' ALA . . . -58.49 -38.88 78.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.254 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -66.21 -38.92 89.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.53 ' HG2' ' HD3' ' A' ' 92' ' ' LYS . 79.4 mt-30 -58.38 -43.93 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.25 -49.45 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.536 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 4.4 pp -72.18 -16.05 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.432 -177.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.5 m -77.39 -37.63 51.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.656 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t 61.1 28.63 18.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.65 0.738 . . . . 0.0 109.73 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -140.25 140.55 23.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.415 -170.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.9 107.24 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.745 2.297 . . . . 0.0 111.675 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.53 ' HD3' ' HG2' ' A' ' 85' ' ' GLN . 60.7 tttm -92.0 -15.37 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.091 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.551 ' H ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.95 141.56 31.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -121.9 -78.16 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.192 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.37 95.88 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.243 -0.885 . . . . 0.0 109.897 -179.186 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.53 -66.83 0.44 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.674 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -47.18 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m 63.14 171.42 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 O-C-N 123.344 0.403 . . . . 0.0 112.058 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 m80 68.41 160.29 0.18 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.446 0.699 . . . . 0.0 112.595 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -157.84 153.0 25.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.494 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -130.09 168.95 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.995 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 73.58 13.34 4.46 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.917 0.76 . . . . 0.0 111.502 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -90.09 101.91 14.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -124.56 86.87 2.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.447 ' OG ' ' HE2' ' B' ' 32' ' ' LYS . 3.6 t -151.77 33.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . 0.891 ' HA ' ' HA ' ' A' ' 77' ' ' ASP . 4.6 m -54.17 155.82 3.45 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.129 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.85 -174.28 45.49 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.983 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.635 ' H ' HD11 ' A' ' 82' ' ' ILE . 9.9 ptp85 -150.68 150.97 31.77 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.78 80.87 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -168.32 154.36 7.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.524 -171.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.6 tp 76.09 151.42 0.12 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.233 0.958 . . . . 0.0 111.878 172.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -143.2 178.85 7.43 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.676 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 64.1 m-85 -84.65 7.55 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -72.61 -25.05 61.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.372 0.606 . . . . 0.0 110.168 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.2 118.66 0.66 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.1 mtt -117.47 179.52 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 0.0 111.289 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -125.11 -179.02 4.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.174 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.34 -46.35 87.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.808 -173.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 -16.68 64.51 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -61.59 -31.3 71.35 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.788 0.328 . . . . 0.0 111.344 -177.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.27 69.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.352 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.1 -40.14 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.24 -31.99 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.496 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 26' ' ' ALA . 62.1 t -62.24 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.224 0.535 . . . . 0.0 109.837 173.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.49 -40.23 95.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.315 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.447 ' HE2' ' OG ' ' B' ' 11' ' ' SER . 40.1 ttmt -53.1 -47.01 68.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.569 -176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.62 -38.65 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 111.627 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.56 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.454 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -74.69 -29.56 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.692 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.525 ' O ' HG22 ' B' ' 40' ' ' THR . . . -55.23 -41.35 71.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.133 0.492 . . . . 0.0 109.769 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.668 HD21 HG13 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -54.84 -51.81 64.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.883 174.473 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.517 ' HG ' HD12 ' B' ' 42' ' ' ILE . 8.0 tt -62.19 -31.01 71.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.219 0.533 . . . . 0.0 110.888 -176.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -85.05 -47.53 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.525 HG22 ' O ' ' B' ' 36' ' ' ALA . 11.0 t -107.27 -7.17 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -171.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.754 ' HB1' ' HB ' ' A' ' 40' ' ' THR . . . -110.59 -9.15 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.986 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.517 HD12 ' HG ' ' B' ' 38' ' ' LEU . 55.5 mt -103.65 140.74 20.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.506 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -115.86 138.13 51.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.558 -177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.94 128.48 61.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.598 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' B' ' 53' ' ' HIS . 6.8 m -100.81 105.99 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.6 p -108.76 139.72 43.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.096 -172.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.7 170.88 15.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.436 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.18 -71.78 0.11 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.441 0.639 . . . . 0.0 111.05 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -115.3 -2.71 12.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.352 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.37 -124.28 0.81 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.399 -177.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.62 -149.98 13.13 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.786 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -145.46 145.61 31.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.602 ' HB2' HG23 ' B' ' 45' ' ' VAL . 55.9 m-70 -119.66 110.75 17.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.285 0.564 . . . . 0.0 110.419 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.54 ' O ' ' HA ' ' B' ' 62' ' ' SER . 35.9 t30 -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.695 ' HG2' ' HB3' ' B' ' 62' ' ' SER . 42.8 mt-30 -102.75 117.37 34.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.7 112.48 6.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 57' ' ' LYS . 3.2 tmmm? -82.97 72.29 10.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -170.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 40' ' ' THR . 9.4 tp -178.99 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.886 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.9 t -94.91 -15.62 23.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.22 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.94 30.92 62.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.21 135.97 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.695 ' HB3' ' HG2' ' B' ' 55' ' ' GLN . 38.9 p -125.76 146.35 49.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.481 . . . . 0.0 111.467 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.758 ' HB ' HG13 ' B' ' 72' ' ' ILE . 10.2 p -130.86 143.49 49.59 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.952 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.408 ' O ' ' HB3' ' B' ' 65' ' ' TRP . 36.7 Cg_exo -62.75 5.28 0.28 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.184 2.59 . . . . 0.0 113.84 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' B' ' 64' ' ' PRO . 56.4 t-105 75.73 -52.63 0.63 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.507 0.723 . . . . 0.0 112.54 172.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' B' ' 66' ' ' LEU . 3.9 mm? -57.46 -39.18 75.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.61 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.471 HG21 ' O ' ' B' ' 71' ' ' GLU . 6.3 t -178.95 148.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.711 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.73 -7.86 35.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.582 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.15 -61.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.471 ' O ' HG21 ' B' ' 68' ' ' THR . 9.6 tp10 -95.1 77.38 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.551 0.691 . . . . 0.0 111.966 -173.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.758 HG13 ' HB ' ' B' ' 63' ' ' VAL . 0.0 OUTLIER -95.96 152.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.524 ' N ' HD13 ' B' ' 72' ' ' ILE . 12.9 tptm -50.61 108.3 0.22 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.483 ' CD2' HG11 ' B' ' 81' ' ' VAL . 7.5 p-80 -113.43 152.6 29.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.699 -162.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.3 124.58 28.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 165.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -80.21 1.87 26.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.502 0.668 . . . . 0.0 111.137 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.52 1.33 53.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.818 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.06 123.65 56.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.61 ' HB2' HG22 ' A' ' 33' ' ' ILE . 19.2 Cg_endo -60.43 -30.13 90.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.034 2.489 . . . . 0.0 112.414 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.668 HG13 HD21 ' B' ' 37' ' ' LEU . 60.1 t -59.69 -30.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 110.682 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' B' ' 74' ' ' HIS . 89.4 t -72.83 -51.39 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.02 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.46 ' O ' HG13 ' B' ' 86' ' ' ILE . 1.3 pp -65.17 -32.17 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.2 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.429 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 99.1 mttt -64.03 -38.27 90.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.174 0.512 . . . . 0.0 110.275 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.92 -34.47 77.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.28 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.46 HG13 ' O ' ' B' ' 82' ' ' ILE . 72.8 mt -75.37 -42.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.4 pp -76.48 5.56 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -173.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.6 t -67.36 175.55 2.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.498 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m 62.78 -153.06 0.34 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 50.34 83.39 0.22 Allowed Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 122.92 0.488 . . . . 0.0 112.075 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.87 121.36 7.82 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.925 2.416 . . . . 0.0 112.562 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -166.39 137.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.12 77.37 1.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -169.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 55.69 103.32 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 167.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.51 102.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.242 0.707 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.346 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.572 ' HG2' HD11 ' A' ' 44' ' ' ILE . 15.9 tpt . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.0 147.4 36.36 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.005 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -107.05 155.61 19.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.732 0.301 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 t -136.47 126.35 25.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -122.3 -50.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m80 57.71 98.84 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 171.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.75 83.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.043 170.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -174.97 41.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.83 -171.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -72.31 176.01 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.691 -173.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -142.22 161.7 37.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 p -71.8 159.84 33.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 t -94.31 157.72 15.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.46 169.58 40.07 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -164.32 114.19 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -131.54 172.06 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.523 0.201 . . . . 0.0 110.492 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.594 ' OD1' ' HD3' ' B' ' 90' ' ' ARG . 7.9 t30 -65.28 160.82 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 172.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -48.15 98.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.583 0.552 . . . . 0.0 111.871 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -99.54 23.62 9.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 122.087 0.946 . . . . 0.0 109.73 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' HB3' ' B' ' 26' ' ' ALA . 89.5 m-85 -79.84 19.26 0.7 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.028 -1.442 . . . . 0.0 111.594 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -71.66 -46.89 57.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.96 144.59 12.8 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.3 mmt -117.77 -179.44 3.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.072 0.436 . . . . 0.0 110.858 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -157.99 -167.74 2.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -44.51 -63.33 0.92 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.192 0.997 . . . . 0.0 113.256 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -70.47 -23.14 62.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.717 -171.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.744 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.53 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.952 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -51.25 61.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.361 -177.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.4 -35.43 79.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.657 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 26' ' ' ALA . 95.8 t -64.52 -46.04 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.037 0.446 . . . . 0.0 110.307 175.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.77 -36.96 77.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.186 0.517 . . . . 0.0 110.089 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HB2' ' HZ2' ' A' ' 32' ' ' LYS . 4.5 ttmp? -62.37 -55.4 28.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.18 -35.06 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.54 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.37 93.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.016 0.436 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -69.13 -36.37 77.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.15 -50.82 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.276 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD22 ' O ' ' B' ' 33' ' ' ILE . 4.2 pp -64.72 -32.83 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.04 -48.83 69.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -69.18 -17.93 63.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.87 -177.014 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.411 HG22 ' O ' ' B' ' 41' ' ' ALA . 5.8 m -96.56 -29.34 13.93 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.034 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 -18.58 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.81 100.14 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.986 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -143.57 152.07 40.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.298 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.572 HD11 ' HG2' ' A' ' 1' ' ' MET . 42.3 pt -87.92 121.32 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.387 0.613 . . . . 0.0 110.918 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.51 142.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.997 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -84.47 131.87 34.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.299 0.571 . . . . 0.0 111.726 -174.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -98.55 132.22 44.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.949 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.53 -19.07 65.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.491 0.662 . . . . 0.0 109.926 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.08 -30.8 60.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.916 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 35.6 1.48 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.853 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.6 -155.83 7.26 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 121.098 -0.573 . . . . 0.0 111.834 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.24 149.0 20.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.023 0.439 . . . . 0.0 111.205 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -124.58 134.45 52.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 65' ' ' TRP . 51.7 t-20 -90.84 106.48 18.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -122.91 119.74 31.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.419 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.3 p -70.94 119.83 15.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.305 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' B' ' 40' ' ' THR . 20.5 mtpp -77.59 4.39 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.515 HD23 HG23 ' A' ' 80' ' ' VAL . 12.3 tp -106.05 -10.62 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.4 m -145.59 -32.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.152 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -6.61 35.14 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.388 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.84 147.29 37.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.615 0.245 . . . . 0.0 110.676 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.2 m -114.13 147.87 38.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.779 ' HB ' HD11 ' A' ' 72' ' ' ILE . 10.0 p -137.76 154.18 74.51 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.591 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 65.3 Cg_exo -38.53 128.04 1.12 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.78 2.32 . . . . 0.0 112.638 170.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.654 ' HA ' ' HB2' ' A' ' 54' ' ' ASN . 5.0 p90 -65.7 163.89 15.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.133 -175.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 66' ' ' LEU . 1.9 tm? 76.6 -34.04 0.22 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.335 0.654 . . . . 0.0 111.297 174.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' A' ' 68' ' ' THR . 4.9 tt0 -77.4 173.69 11.66 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.732 0.301 . . . . 0.0 111.218 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.4 ' H ' ' HG2' ' A' ' 67' ' ' GLN . 12.4 t -71.98 -17.74 62.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.69 67.28 2.1 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.95 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.97 -10.07 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.886 0.851 . . . . 0.0 109.619 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -93.7 13.06 23.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.779 HD11 ' HB ' ' A' ' 63' ' ' VAL . 35.1 mm -72.76 129.76 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.098 -177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -68.89 102.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -105.73 161.25 14.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.597 -163.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 78' ' ' CYS . . . -70.29 151.7 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.283 170.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.4 -43.08 99.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.995 0.426 . . . . 0.0 111.59 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -104.38 15.62 27.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.502 -174.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.0 t -54.66 124.6 50.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.011 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.561 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . 52.4 Cg_exo -54.52 -31.63 70.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.34 2.693 . . . . 0.0 113.296 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG23 HD23 ' A' ' 58' ' ' LEU . 85.0 t -59.71 -40.09 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.11 0.481 . . . . 0.0 110.549 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 t -67.97 -41.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.179 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.93 -48.35 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.76 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.723 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.05 -40.04 94.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.441 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -61.92 -45.56 93.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.41 -46.38 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.14 -14.43 61.82 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.678 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.0 m -90.53 -29.3 17.96 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.366 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p 59.57 164.54 0.05 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 112.593 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 55.08 79.39 0.34 Allowed Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.02 129.45 15.25 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.348 2.032 . . . . 0.0 112.732 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -118.98 99.46 6.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.35 100.96 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -100.53 -25.22 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.374 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.15 145.68 46.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.727 179.138 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.577 0.227 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.48 -111.31 2.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.781 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -124.01 25.88 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 7.7 m -57.78 112.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.432 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 73.38 -44.6 0.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.9 0.88 . . . . 0.0 111.611 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -79.18 104.32 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.757 0.313 . . . . 0.0 110.366 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -82.12 124.91 30.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.134 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -79.08 -31.55 44.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -165.54 154.71 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -103.02 -67.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.058 0.456 . . . . 0.0 110.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -98.31 109.33 22.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.214 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 30.9 m -127.37 47.72 2.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.119 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.29 68.03 1.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.399 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -119.56 120.04 35.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.25 166.84 10.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.18 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.07 177.98 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.776 173.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 tp -118.19 30.91 6.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.111 0.481 . . . . 0.0 110.241 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 18.1 t80 65.03 162.24 0.13 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.393 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -58.96 -29.07 66.89 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.73 -15.44 59.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.715 0.293 . . . . 0.0 111.624 -174.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.92 -64.34 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.507 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.671 ' SD ' ' HB2' ' B' ' 26' ' ' ALA . 18.3 mmt 69.1 160.32 0.19 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.689 0.796 . . . . 0.0 112.36 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' B' ' 24' ' ' ASP . 12.2 t -158.29 39.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.945 0.878 . . . . 0.0 110.072 -174.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 23' ' ' THR . 21.4 t70 79.35 -33.93 0.15 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.27 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -56.92 -17.94 11.49 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.671 ' HB2' ' SD ' ' B' ' 22' ' ' MET . . . -56.75 -35.56 68.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.432 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.89 68.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.472 . . . . 0.0 110.643 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -49.81 11.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.788 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' B' ' 32' ' ' LYS . 26.2 m-20 -62.49 -39.76 94.52 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.17 -41.59 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.428 . . . . 0.0 110.406 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -37.74 86.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 0.0 110.025 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 35.6 ttmt -57.5 -55.51 33.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.329 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 79' ' ' PRO . 36.5 pt -69.18 -32.88 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.37 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -65.91 -44.56 84.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 83.3 m -58.57 -29.03 66.08 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.535 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -43.46 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.062 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.679 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.5 pp -77.37 -24.56 50.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.721 0.296 . . . . 0.0 110.809 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.9 -32.43 65.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.569 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.38 -58.07 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.464 ' O ' ' HE3' ' A' ' 57' ' ' LYS . 3.3 t -176.18 85.51 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.065 0.936 . . . . 0.0 110.946 177.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.679 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.48 -27.95 14.2 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.181 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 7.2 mt -87.54 155.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.54 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.1 146.4 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.79 -174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.587 HG23 ' HB1' ' B' ' 52' ' ' ALA . 9.2 mm -98.75 117.4 43.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.013 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 53' ' ' HIS . 17.5 m -99.41 120.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.4 m -95.31 141.37 28.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.257 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.44 160.6 14.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.612 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.73 -40.68 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.594 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -57.15 -51.8 67.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.128 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.65 70.37 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.771 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.36 -175.04 47.14 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.587 ' HB1' HG23 ' B' ' 44' ' ' ILE . . . -151.12 171.29 17.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.581 0.229 . . . . 0.0 110.546 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.437 ' HB2' HG23 ' B' ' 45' ' ' VAL . 90.5 m-70 -137.47 137.11 38.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.431 ' HB3' HG13 ' B' ' 63' ' ' VAL . 61.0 t30 -117.86 105.29 11.79 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -114.17 127.41 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 111.705 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.5 t -86.3 112.87 21.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.893 ' HA ' ' HE3' ' B' ' 57' ' ' LYS . 0.4 OUTLIER -75.57 -21.15 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.356 . . . . 0.0 111.047 -170.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -84.54 -21.54 30.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -111.54 -30.11 7.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.36 6.95 73.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.615 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.32 138.81 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.643 0.258 . . . . 0.0 110.438 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -127.53 133.6 49.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' B' ' 67' ' ' GLN . 4.7 p -129.24 122.08 20.88 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.02 92.85 0.72 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.245 1.963 . . . . 0.0 113.56 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 15.9 t90 51.82 -93.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.751 171.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.69 94.64 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.535 0.683 . . . . 0.0 110.84 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.489 ' HB3' ' CG2' ' B' ' 63' ' ' VAL . 7.4 tp-100 -141.41 168.22 20.3 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.392 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -47.67 78.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.68 0.276 . . . . 0.0 111.381 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.21 -52.99 0.72 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.085 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.47 ' OD1' ' HD2' ' B' ' 74' ' ' HIS . 25.2 t70 -84.87 14.2 5.08 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.392 0.596 . . . . 0.0 111.693 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -75.39 -6.19 48.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tp -103.8 -5.18 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.45 0.643 . . . . 0.0 109.493 174.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.915 ' HA ' ' HE3' ' B' ' 73' ' ' LYS . 0.9 OUTLIER 65.07 108.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.047 -179.102 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.47 ' HD2' ' OD1' ' B' ' 70' ' ' ASP . 20.2 p80 -57.18 129.07 40.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.562 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.88 117.0 29.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.754 175.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.539 ' HA ' HG21 ' B' ' 81' ' ' VAL . 74.8 m-20 -80.77 -7.54 59.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.769 -172.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -78.2 -1.34 32.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 70.7 m -90.65 136.04 28.46 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.96 -21.09 56.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.196 2.597 . . . . 0.0 112.765 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.06 -30.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.539 HG21 ' HA ' ' B' ' 76' ' ' ASP . 60.3 t -73.29 -34.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 109.914 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 86' ' ' ILE . 41.1 mm -57.86 -47.35 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.872 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.71 78.06 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.104 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.47 -38.78 81.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.325 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.54 -34.04 60.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 82' ' ' ILE . 71.4 mt -65.67 -44.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.62 -1.67 32.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.201 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -96.11 19.44 11.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.468 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p -80.7 73.62 7.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.166 0.508 . . . . 0.0 111.398 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.594 ' HD3' ' OD1' ' A' ' 16' ' ' ASN . 34.5 mtp-105 61.12 84.98 0.19 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.942 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -86.86 -172.23 0.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.764 2.309 . . . . 0.0 111.6 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -83.18 61.63 6.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 49.1 tp 55.3 -98.66 0.09 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.396 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 178.91 94.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.22 116.5 28.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.255 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.248 -179.848 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.901 0.382 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.76 57.48 0.46 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -92.95 -44.3 8.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.578 0.228 . . . . 0.0 110.752 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.1 m -68.07 100.59 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -143.94 83.44 1.75 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.19 106.93 13.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -167.45 136.12 2.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.828 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -141.31 105.51 4.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -65.65 100.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.551 0.691 . . . . 0.0 110.805 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -126.61 87.28 2.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.743 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -110.0 135.96 50.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.545 ' HA ' ' OXT' ' B' ' 96' ' ' VAL . 4.9 t -65.46 135.81 55.66 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 -176.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.86 162.57 17.38 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.149 -174.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -144.04 95.81 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.962 0.41 . . . . 0.0 109.962 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HG2' HD22 ' A' ' 16' ' ' ASN . 32.0 tt0 -142.6 -85.04 0.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.402 HD22 ' HG2' ' A' ' 15' ' ' GLU . 53.6 m-80 -131.66 121.34 24.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.1 mt -144.55 -83.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.213 0.53 . . . . 0.0 111.131 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -81.12 179.22 7.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.102 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 97.5 m-85 -54.2 152.09 6.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 8.7 tt0 76.02 6.78 3.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.034 0.834 . . . . 0.0 110.071 -175.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.58 64.87 0.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.786 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -106.9 129.85 54.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 -178.057 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -103.89 -68.73 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.101 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -161.96 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -59.85 -22.58 62.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.38 -20.72 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.233 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.448 ' HA ' ' CZ ' ' B' ' 19' ' ' PHE . . . -72.79 -29.2 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.066 0.46 . . . . 0.0 110.485 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -71.23 -33.28 69.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.917 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' B' ' 86' ' ' ILE . 22.1 t70 -73.52 -53.62 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.392 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG21 ' HZ ' ' B' ' 19' ' ' PHE . 35.2 m -67.46 -32.99 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.754 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.738 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 41.1 ttp180 -68.35 -30.17 69.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.258 0.551 . . . . 0.0 109.87 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB2' ' HE2' ' A' ' 32' ' ' LYS . 21.0 ttmm -69.6 -50.4 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.614 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 HD13 HD12 ' B' ' 86' ' ' ILE . 31.0 pt -65.73 -33.55 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.729 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.73 82.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.241 0.543 . . . . 0.0 110.724 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -74.76 -38.99 62.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.9 94.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.925 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HA ' HG22 ' A' ' 40' ' ' THR . 4.6 pp -66.74 -24.9 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.49 -31.95 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.692 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.0 -16.87 39.38 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.372 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.0 t -97.54 -17.0 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.566 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.21 -14.54 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.767 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.2 mm -112.94 91.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.916 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.82 152.36 49.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.417 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.792 HD11 ' HB1' ' A' ' 52' ' ' ALA . 12.6 tt -126.95 122.27 59.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.643 0.735 . . . . 0.0 111.598 -174.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 53' ' ' HIS . 2.5 m -96.82 106.46 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.006 173.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 34.0 t -100.21 139.64 35.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.22 0.533 . . . . 0.0 111.084 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.16 141.64 32.89 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.02 -36.75 75.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.113 0.483 . . . . 0.0 110.278 -173.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.36 107.0 2.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.043 171.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.97 -17.51 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.048 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.04 138.51 3.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.134 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.792 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -98.4 135.27 40.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.764 0.316 . . . . 0.0 110.422 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' HB2' HG23 ' A' ' 45' ' ' VAL . 78.7 m-70 -115.57 108.31 16.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.878 -175.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.621 ' H ' ' CG2' ' A' ' 63' ' ' VAL . 6.8 t30 -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -107.22 113.64 27.19 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.45 0.643 . . . . 0.0 110.983 -174.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.898 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 43.1 t -99.79 89.09 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.23 23.85 9.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.498 -171.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -74.24 -48.75 26.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.9 p -115.04 -53.08 2.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.104 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.12 69.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.391 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.898 ' HB3' ' HB3' ' A' ' 56' ' ' CYS . . . -117.7 159.04 23.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.591 0.234 . . . . 0.0 110.584 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.426 ' H ' HG21 ' A' ' 72' ' ' ILE . 17.0 m -100.31 -169.95 1.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 111.429 -174.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.621 ' CG2' ' H ' ' A' ' 54' ' ' ASN . 1.5 p -96.13 119.54 64.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.152 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -88.24 6.4 4.89 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.271 2.647 . . . . 0.0 113.068 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.463 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 33.0 t-105 -75.18 -151.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.57 65.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.408 0.623 . . . . 0.0 110.819 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -164.76 150.03 9.82 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -74.82 81.98 2.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.92 14.31 1.52 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.771 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.79 -31.56 71.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.36 0.6 . . . . 0.0 109.784 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.52 91.03 6.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.0 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.642 HG12 ' HA ' ' A' ' 61' ' ' ALA . 10.8 tp -158.82 153.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.001 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 5.8 tptm -110.16 161.91 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 35.3 m80 -97.42 0.31 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.324 -0.15 . . . . 0.0 110.953 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . 77.04 132.24 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.328 1.017 . . . . 0.0 110.331 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.11 -20.9 55.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.1 14.56 23.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.35 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.555 ' SG ' HG22 ' A' ' 80' ' ' VAL . 32.1 p -66.93 158.72 79.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.81 -26.36 15.88 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.945 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG22 ' SG ' ' A' ' 78' ' ' CYS . 29.7 m -67.82 -30.57 48.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG13 ' SG ' ' A' ' 78' ' ' CYS . 15.8 m -64.51 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.775 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' ' 86' ' ' ILE . 51.9 mm -68.41 -44.87 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.064 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.23 87.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.95 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -63.59 -37.48 87.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.477 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.01 -37.78 84.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 82' ' ' ILE . 71.5 mt -70.54 -42.13 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.498 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.738 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -73.84 -17.37 61.07 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -78.72 -32.71 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.387 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 48.7 m 62.63 -174.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.375 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 89' ' ' SER . 68.5 mtp180 70.04 151.77 0.13 Allowed Pre-proline 0 N--CA 1.466 0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.358 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.476 ' O ' ' HB2' ' A' ' 92' ' ' LYS . 37.8 Cg_endo -69.37 171.73 13.52 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.536 2.158 . . . . 0.0 110.798 168.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 91' ' ' PRO . 28.7 mtpp 71.51 155.7 0.15 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.814 0.697 . . . . 0.0 110.756 -173.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.0 mt 68.19 153.97 0.1 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.792 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -164.94 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.197 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.21 -168.64 0.2 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.278 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.706 178.629 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' B' ' 70' ' ' ASP . 88.5 mtp . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.9 16.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.85 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -96.58 126.55 41.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.929 0.395 . . . . 0.0 110.745 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.8 m -148.15 95.96 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.165 0.507 . . . . 0.0 109.99 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -84.1 -22.89 30.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.729 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -78.9 83.37 5.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.658 0.742 . . . . 0.0 112.931 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -139.73 72.0 1.39 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 165.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -93.92 115.69 28.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.736 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -172.25 103.4 0.17 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.004 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -78.31 88.69 4.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.335 0.588 . . . . 0.0 111.232 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.7 m -146.46 96.12 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -89.45 107.82 19.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.31 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.39 173.75 43.28 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.812 -0.708 . . . . 0.0 113.73 172.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.633 ' HB2' ' HB ' ' B' ' 25' ' ' THR . 0.6 OUTLIER -142.24 -74.45 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -142.8 117.22 9.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.687 -1.142 . . . . 0.0 107.951 170.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -141.54 131.28 24.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.438 0.637 . . . . 0.0 111.656 -175.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.8 30.03 7.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.773 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 33.1 t80 53.03 78.16 0.15 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.012 -170.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 27' ' ' ALA . 97.3 m-85 69.35 178.98 0.25 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.135 -176.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.66 -62.67 0.18 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.278 0.631 . . . . 0.0 109.958 -166.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.4 87.39 0.61 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 tpt -134.23 125.6 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 11.8 t -123.98 -171.18 2.27 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -172.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -48.84 -54.42 15.3 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.708 1.203 . . . . 0.0 114.027 -173.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.633 ' HB ' ' HB2' ' B' ' 14' ' ' ARG . 1.5 m -70.41 -1.39 10.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -168.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.36 -23.21 40.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.224 0.535 . . . . 0.0 109.933 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.89 -26.63 66.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.569 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -51.82 -53.04 44.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.3 -44.43 52.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.855 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.79 -42.42 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.558 ' HG2' ' HA ' ' B' ' 87' ' ' LEU . 82.3 mtp180 -68.76 -30.27 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.076 -0.39 . . . . 0.0 110.789 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -65.47 -46.59 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.017 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.4 pt -65.96 -32.82 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.33 -32.91 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.219 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -73.81 -30.48 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 0.0 110.813 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.33 86.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.882 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.99 -25.14 65.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 111.33 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' B' ' 84' ' ' LYS . 6.7 tt -77.75 -31.49 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.256 0.551 . . . . 0.0 109.546 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -76.93 -51.8 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.5 t -154.96 82.03 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.016 0.912 . . . . 0.0 112.015 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.1 17.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.52 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.425 HG22 ' OD1' ' B' ' 54' ' ' ASN . 39.9 mt -123.96 126.45 72.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.419 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -106.64 166.97 10.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.279 0.561 . . . . 0.0 111.784 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.525 ' O ' HD12 ' B' ' 44' ' ' ILE . 1.8 pp -111.63 134.78 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.697 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 m -104.8 121.37 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.262 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 5.0 m -102.52 124.24 47.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.05 0.452 . . . . 0.0 111.842 -172.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.83 133.46 44.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.883 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.6 -40.37 78.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.095 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -116.2 116.32 27.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.431 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -63.77 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.091 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.78 175.1 14.06 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -91.72 127.12 37.06 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.823 0.344 . . . . 0.0 110.086 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.565 ' HB3' ' HB2' ' B' ' 62' ' ' SER . 87.2 m-70 -107.53 126.14 52.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.834 -176.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.425 ' OD1' HG22 ' B' ' 42' ' ' ILE . 5.7 t-20 -87.09 105.95 17.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 174.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.74 120.02 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 112.143 -170.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.5 t -74.74 108.64 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.794 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 40' ' ' THR . 59.4 tptt -60.8 -35.17 75.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.937 -175.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.486 HD13 ' HG2' ' B' ' 79' ' ' PRO . 95.3 mt -96.38 8.32 44.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -171.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 49.4 t -134.5 -27.08 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.58 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.66 48.7 7.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.369 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.8 138.79 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' B' ' 53' ' ' HIS . 2.2 p -113.53 137.98 50.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.025 0.441 . . . . 0.0 111.598 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.64 144.92 45.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.287 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -42.81 140.98 2.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.253 2.635 . . . . 0.0 112.889 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 13.4 p-90 -65.28 174.67 1.98 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp 80.36 -31.05 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.815 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -92.84 173.86 7.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.713 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 1.006 ' HB ' ' HG3' ' B' ' 71' ' ' GLU . 15.5 m -84.43 137.55 33.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.694 -177.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.37 -22.97 66.07 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.241 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.73 ' HA ' ' HE1' ' B' ' 74' ' ' HIS . 35.2 t70 -98.27 14.46 27.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.366 0.603 . . . . 0.0 110.831 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 1.006 ' HG3' ' HB ' ' B' ' 68' ' ' THR . 33.9 mt-10 -81.55 -28.28 33.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.379 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 11.1 tt -86.02 136.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 30.9 mmtp -61.52 132.75 54.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 111.05 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.73 ' HE1' ' HA ' ' B' ' 70' ' ' ASP . 34.6 m80 -109.04 177.6 4.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.212 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 147.24 42.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.662 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.0 -13.35 60.23 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.78 0.8 . . . . 0.0 108.986 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.17 -5.66 58.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.543 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.494 ' SG ' HG23 ' B' ' 81' ' ' VAL . 16.3 p -92.54 144.19 28.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 -174.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.486 ' HG2' HD13 ' B' ' 58' ' ' LEU . 21.1 Cg_endo -62.95 -16.93 57.35 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.03 2.487 . . . . 0.0 112.818 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' B' ' 58' ' ' LEU . 60.5 t -58.94 -46.5 91.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.19 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.494 HG23 ' SG ' ' B' ' 78' ' ' CYS . 94.9 t -65.16 -40.63 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 86' ' ' ILE . 47.3 mm -59.04 -50.32 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.243 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.37 -51.88 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.649 ' HA ' ' HG ' ' B' ' 87' ' ' LEU . 56.3 pttt -71.07 -26.74 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 111.447 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' B' ' 82' ' ' ILE . 27.4 tt0 -61.0 -39.8 91.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.56 173.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.518 HD12 HD13 ' A' ' 33' ' ' ILE . 77.6 mt -74.99 -43.3 45.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.671 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.649 ' HG ' ' HA ' ' B' ' 84' ' ' LYS . 4.6 pp -67.06 -16.46 64.36 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.849 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.1 m -85.78 96.32 9.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 6.1 p -65.01 114.48 4.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.047 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.431 ' HE ' ' HB3' ' B' ' 90' ' ' ARG . 6.1 mtp180 63.56 74.82 0.42 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.86 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.59 167.3 10.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.183 1.922 . . . . 0.0 110.975 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -85.64 -6.82 59.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 110.579 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.74 139.51 32.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.569 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -129.64 132.28 46.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.498 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.81 159.93 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.531 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.545 ' OXT' ' HA ' ' A' ' 12' ' ' SER . 47.2 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.878 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.607 0.241 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.89 119.01 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.216 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -101.38 2.74 39.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.541 . . . . 0.0 110.613 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.0 t -111.07 124.64 52.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -146.57 142.28 27.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.765 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 9' ' ' HIS . 20.8 m-70 -82.44 149.17 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.33 -11.83 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.546 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 93.5 m-70 -125.09 -68.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.739 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 6' ' ' HIS . 21.2 p80 47.41 42.39 14.11 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.553 0.692 . . . . 0.0 111.302 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.6 t60 68.06 31.68 5.34 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.092 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -86.37 -6.65 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 109.341 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -147.12 171.46 15.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.132 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.8 64.52 0.82 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.383 -177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -87.52 -6.79 58.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.44 160.66 33.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.068 -171.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -118.19 139.13 51.73 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -127.06 -169.64 2.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.22 -164.99 1.03 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.805 -177.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' HA ' ' HE3' ' A' ' 22' ' ' MET . 65.9 m-85 -72.46 162.94 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.936 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 62.2 tt0 73.54 -56.13 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.846 0.716 . . . . 0.0 110.947 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.33 75.3 1.35 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.754 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 19' ' ' PHE . 13.1 ptp -142.63 148.56 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 0.0 110.776 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.7 -151.96 0.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.655 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -46.9 10.5 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 m -54.16 -44.43 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.52 93.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.819 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.95 92.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.546 ' OE1' ' HB2' ' A' ' 8' ' ' HIS . 24.4 tt0 -76.39 -36.93 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.905 0.384 . . . . 0.0 110.226 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -69.41 -34.29 61.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.512 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 1.119 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 28.9 ttm180 -61.46 -38.34 86.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 109.897 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -39.65 94.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.0 178.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.48 -44.35 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.239 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 38' ' ' LEU . . . -59.03 -40.63 85.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.107 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.9 m -61.46 -36.3 80.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.23 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.112 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.6 pp -69.31 -25.02 64.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.2 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 87' ' ' LEU . 79.6 mt -67.2 -33.26 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.234 0.54 . . . . 0.0 110.031 173.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -82.34 -10.88 58.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.857 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.731 HG23 HG23 ' B' ' 42' ' ' ILE . 30.1 m -97.99 -50.5 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.492 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.27 -4.42 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.12 116.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -130.53 158.41 40.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mm -85.63 120.63 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.937 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG21 HE21 ' A' ' 55' ' ' GLN . 4.0 m -117.63 106.38 19.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 172.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 m -97.21 160.4 14.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.241 -171.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.73 143.57 26.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.019 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.799 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -99.99 -34.1 10.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.92 -122.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.509 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.83 -167.17 12.38 Favored Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.269 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -79.66 147.71 31.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.111 0.482 . . . . 0.0 111.506 -176.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.52 133.24 34.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.0 m120 -87.31 120.15 28.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.228 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.673 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 27.4 mt-30 -127.23 138.1 53.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.678 0.275 . . . . 0.0 110.393 173.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.12 136.59 38.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.022 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 1.3 tpmt? -74.54 -10.55 59.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.264 -176.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.61 -48.46 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.098 -172.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.09 -2.6 12.73 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 41.34 99.81 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.634 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . -100.17 130.96 46.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.673 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 4.2 p -119.78 142.83 48.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.288 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 54' ' ' ASN . 14.3 p -149.27 141.45 15.09 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.936 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.36 137.7 82.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.68 2.254 . . . . 0.0 112.103 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.2 p-90 -58.53 -32.68 69.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.812 -175.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -81.95 -1.53 48.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.743 0.306 . . . . 0.0 111.542 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -72.4 -78.53 0.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.5 m -165.22 -58.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 94.36 174.64 38.85 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -170.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.9 t70 70.73 -56.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.328 0.564 . . . . 0.0 111.424 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -75.82 71.32 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.736 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.3 pt -131.59 106.53 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.334 0.587 . . . . 0.0 111.07 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.6 103.52 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.775 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 61' ' ' ALA . 11.5 t-160 -108.0 -7.49 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.275 0.559 . . . . 0.0 110.771 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.53 113.67 3.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HA ' HG21 ' A' ' 81' ' ' VAL . 9.7 m-20 -73.47 -19.54 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.62 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.79 -32.52 52.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.373 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 79.1 m -75.92 154.73 84.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.376 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HB2' HG22 ' B' ' 33' ' ' ILE . 37.8 Cg_endo -65.64 0.21 3.17 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.17 2.58 . . . . 0.0 113.605 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.22 -41.01 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.735 0.303 . . . . 0.0 110.323 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 76' ' ' ASP . 57.8 t -70.17 -42.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.236 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.657 HD11 HD22 ' B' ' 16' ' ' ASN . 10.3 tp -67.59 -37.26 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.967 0.413 . . . . 0.0 110.477 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 33' ' ' ILE . . . -68.94 -38.0 79.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.04 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.765 ' HD2' HD11 ' A' ' 87' ' ' LEU . 21.3 tptp -60.22 -40.59 90.68 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.09 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -56.38 -38.12 71.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.115 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' B' ' 19' ' ' PHE . 27.2 mm -75.65 -51.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.248 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.119 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.0 pp -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.2 m -102.9 71.02 1.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 m -69.13 -35.27 76.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.595 -172.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 52.3 mtt180 53.83 80.9 0.27 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -172.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.85 -168.69 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.317 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -72.58 81.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.752 . . . . 0.0 110.438 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -143.6 138.62 29.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.32 105.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.149 0.5 . . . . 0.0 111.536 -174.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.01 134.69 22.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.739 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.233 -177.792 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.82 41.93 0.21 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.92 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -84.22 80.71 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 111.552 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 12.0 m -77.96 110.37 12.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.24 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -129.01 111.09 12.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -122.54 146.32 47.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -80.43 167.86 19.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -173.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -153.81 107.2 2.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 0.0 109.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -109.86 12.36 23.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -122.69 112.15 17.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.873 0.368 . . . . 0.0 110.968 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -148.43 118.63 7.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.685 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -146.05 83.33 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.25 0.548 . . . . 0.0 110.543 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.44 54.29 0.72 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.94 -28.65 60.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.848 0.356 . . . . 0.0 111.448 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -99.71 104.27 15.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.306 -173.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.657 HD22 HD11 ' A' ' 82' ' ' ILE . 44.1 t-20 -144.87 117.37 8.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.046 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.1 67.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.2 t80 66.52 145.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.896 0.855 . . . . 0.0 113.158 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 86' ' ' ILE . 55.7 m-85 -72.91 84.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.61 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.54 -62.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.43 8.12 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.512 ' HG2' ' HB2' ' B' ' 26' ' ' ALA . 6.2 tpt -75.63 -56.3 4.82 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.48 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.936 ' HA ' ' HA ' ' A' ' 20' ' ' GLN . 18.2 m 69.78 -74.32 0.08 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 169.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -108.55 -46.61 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -168.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -55.51 -31.31 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' B' ' 22' ' ' MET . . . -56.04 -28.23 56.53 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.44 -28.3 59.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.918 0.389 . . . . 0.0 110.977 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -86.72 -49.37 7.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.635 ' HB2' HG12 ' A' ' 82' ' ' ILE . 12.2 p-10 -76.7 -40.92 47.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.464 -170.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.16 -30.5 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.065 0.46 . . . . 0.0 110.584 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.435 ' HG3' ' HB2' ' B' ' 87' ' ' LEU . 74.9 ttt180 -69.85 -30.59 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.555 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.37 -50.33 71.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.34 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 83' ' ' ALA . 35.1 pt -70.81 -33.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.686 0.279 . . . . 0.0 111.284 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -69.51 -32.46 71.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -72.87 -29.93 63.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.074 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.94 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.131 0.491 . . . . 0.0 110.693 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.802 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 19.3 mt -71.66 -26.28 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.419 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.03 -33.36 39.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -75.31 -45.61 38.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.148 -175.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.6 m -153.91 -66.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.544 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.84 -67.96 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.612 0.765 . . . . 0.0 111.998 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -110.78 -169.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.134 0.493 . . . . 0.0 111.721 -174.259 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -116.94 156.79 26.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.287 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.9 tt -107.54 123.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.446 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.01 157.58 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.728 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 4.1 p -134.16 147.45 50.78 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.275 -176.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.07 171.62 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.72 -49.59 72.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -156.94 100.95 1.92 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.526 170.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.36 -73.88 0.05 OUTLIER Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.058 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.18 142.47 7.48 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.11 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -77.8 152.48 33.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.047 0.451 . . . . 0.0 110.975 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -137.61 125.22 22.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.9 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.497 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 27.5 t-20 -81.77 140.77 34.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.97 119.29 17.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -172.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 61' ' ' ALA . 53.1 t -91.72 102.17 14.79 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 170.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -75.75 14.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -169.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.04 -68.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.288 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 6.5 p -86.45 -9.74 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.5 35.83 18.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.632 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 56' ' ' CYS . . . -84.26 131.12 34.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.693 0.282 . . . . 0.0 110.968 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.2 p -117.81 130.92 56.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.559 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.555 HG21 HD13 ' B' ' 72' ' ' ILE . 75.3 t -127.18 114.69 21.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 136.97 72.18 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.714 2.276 . . . . 0.0 112.048 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 15.2 t-105 -65.9 161.24 21.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 4.2 mm? 83.06 -17.32 0.51 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.172 0.989 . . . . 0.0 111.506 -175.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.66 172.51 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -80.03 3.64 19.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.177 0.513 . . . . 0.0 111.658 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.63 -29.96 8.56 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' OD2' ' HG2' ' B' ' 73' ' ' LYS . 21.3 t70 66.61 10.23 7.25 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 111.208 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.68 9.1 0.76 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.168 0.987 . . . . 0.0 112.831 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.555 HD13 HG21 ' B' ' 63' ' ' VAL . 44.0 mm 62.18 100.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.197 0.311 . . . . 0.0 110.59 -175.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' B' ' 73' ' ' LYS . 31.6 mmtp -59.04 126.1 26.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.319 0.581 . . . . 0.0 109.912 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -144.23 166.47 24.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.024 -163.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -85.97 161.79 18.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 165.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.09 -20.0 31.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.91 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.7 -7.29 59.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.58 -177.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.537 ' HB2' HG23 ' B' ' 81' ' ' VAL . 79.4 m -62.55 138.6 96.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.433 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.495 ' O ' HG22 ' B' ' 82' ' ' ILE . 37.0 Cg_exo -56.99 -36.74 99.42 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.202 2.601 . . . . 0.0 112.504 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.587 HG13 HD13 ' B' ' 37' ' ' LEU . 52.5 t -60.91 -37.47 76.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.201 0.524 . . . . 0.0 110.606 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' B' ' 78' ' ' CYS . 38.3 t -73.83 -43.26 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.236 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.513 ' O ' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER -63.95 -36.04 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.316 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.18 88.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.262 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.592 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 92.2 mttt -64.81 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 0.0 110.822 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.68 -26.28 66.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.213 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 82' ' ' ILE . 81.2 mt -73.46 -43.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.053 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 84' ' ' LYS . 4.7 pp -66.51 -25.06 66.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.162 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -79.08 95.11 5.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.9 p -71.67 92.64 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.976 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 37.0 ptt180 -157.75 136.3 7.75 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.984 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 4.8 Cg_exo -74.82 92.6 0.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.555 2.17 . . . . 0.0 111.172 175.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -84.64 98.99 10.5 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt -121.96 87.81 2.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.537 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -138.91 91.43 2.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.76 108.96 17.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.76 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.253 1.256 0 O-C-N 123.744 0.653 . . . . 0.0 110.931 -177.607 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.922 0.392 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.09 116.46 3.97 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.071 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -158.83 82.15 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.376 0.607 . . . . 0.0 111.393 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 p -83.86 90.56 7.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.954 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -132.21 99.16 4.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -173.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -69.14 139.14 54.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -150.13 31.68 0.68 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.932 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -173.97 90.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.551 0.215 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -109.67 82.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.467 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -168.56 116.78 0.69 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -111.86 156.58 21.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -152.74 133.71 14.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.632 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.58 -131.61 7.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.916 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' ARG . 18.1 mmt180 69.16 15.75 8.62 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.71 0.404 . . . . 0.0 111.836 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 134.52 49.52 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -150.21 20.85 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.642 0.258 . . . . 0.0 111.536 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -92.98 -170.79 2.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.846 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -169.6 173.25 6.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.092 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.33 71.78 3.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.911 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' HA ' HG23 ' B' ' 23' ' ' THR . 39.5 mt-30 -123.91 -5.4 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.251 0.548 . . . . 0.0 109.716 168.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.58 84.2 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.7 mmt -73.08 137.32 45.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.279 0.561 . . . . 0.0 112.113 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 t -78.53 169.64 17.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.0 -32.75 74.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.986 0.422 . . . . 0.0 111.015 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -61.62 -28.48 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.672 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -30.17 68.37 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.135 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . -68.64 -28.24 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -79.89 -39.93 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.77 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -64.88 -49.98 68.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.27 -31.78 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.128 0.489 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 24.9 ttt85 -61.27 -36.4 79.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.57 -37.99 65.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.869 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.29 -44.63 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.676 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -61.34 -32.07 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.341 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.8 m -67.13 -32.75 74.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.461 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 4.5 pp -65.25 -24.94 67.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.58 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.615 HD11 HD22 ' A' ' 87' ' ' LEU . 87.2 mt -64.75 -34.53 78.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.093 0.473 . . . . 0.0 110.589 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -93.03 -54.87 3.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 p -88.87 -21.75 23.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -167.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -78.04 -12.61 60.0 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.601 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.3 mm -77.49 104.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' B' ' 1' ' ' MET . 40.8 tt0 -107.49 144.49 34.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.1 0.476 . . . . 0.0 111.241 -171.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 54' ' ' ASN . 42.6 mm -101.64 112.65 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.276 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.603 HG23 ' HB2' ' A' ' 53' ' ' HIS . 7.7 m -98.5 105.37 17.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.683 0.754 . . . . 0.0 109.084 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 13.7 p -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.661 -172.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.49 157.01 26.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.137 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.64 -45.04 66.5 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 123.416 0.447 . . . . 0.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -163.0 111.69 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.379 172.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.58 -22.33 0.34 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.695 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.99 147.26 4.48 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.055 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.604 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -97.49 154.74 17.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.935 0.398 . . . . 0.0 109.95 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.603 ' HB2' HG23 ' A' ' 45' ' ' VAL . 77.3 m-70 -127.31 123.73 37.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.55 -175.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.614 ' HA ' HD13 ' A' ' 44' ' ' ILE . 48.4 t-20 -82.89 114.64 21.33 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -130.37 124.66 32.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.338 0.59 . . . . 0.0 112.188 -171.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.47 ' SG ' HD11 ' A' ' 72' ' ' ILE . 78.2 m -83.63 103.21 12.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 170.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -80.17 7.68 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 0.0 110.906 -173.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.507 HD23 HG22 ' A' ' 80' ' ' VAL . 10.9 tp -105.99 14.37 28.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.5 t -149.46 -41.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.264 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.89 -9.62 31.95 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.258 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.94 138.75 39.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.968 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 p -142.87 153.23 42.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.156 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.415 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 11.3 p -151.98 146.49 18.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 51.8 Cg_exo -40.05 126.56 1.9 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.925 2.417 . . . . 0.0 112.202 170.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.444 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 4.6 p-90 -63.95 -24.58 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.645 -172.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.1 tp -92.81 13.87 19.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.608 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -148.58 -87.59 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.23 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.504 ' H ' HG23 ' A' ' 68' ' ' THR . . . 107.66 -17.95 35.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.714 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -105.61 -27.9 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.214 0.531 . . . . 0.0 110.43 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' HB3' HG21 ' A' ' 68' ' ' THR . 42.2 tt0 -75.92 -7.23 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.102 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.47 HD11 ' SG ' ' A' ' 56' ' ' CYS . 17.7 pt -65.66 137.3 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.32 0.581 . . . . 0.0 111.455 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.15 115.84 23.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.135 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -77.47 165.98 23.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.163 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.83 40.4 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 169.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -75.63 -4.66 41.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.009 0.433 . . . . 0.0 111.408 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.18 -13.28 53.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.956 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 p -77.56 150.17 79.03 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.758 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.683 ' HB2' HG22 ' B' ' 33' ' ' ILE . 48.8 Cg_endo -68.92 -3.75 12.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.943 2.429 . . . . 0.0 113.306 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG22 HD23 ' A' ' 58' ' ' LEU . 48.4 t -63.02 -33.72 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.12 0.486 . . . . 0.0 110.4 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 43.6 t -61.62 -47.25 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.472 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.33 -41.24 91.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.401 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.81 93.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -61.0 -38.8 87.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.323 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 96.4 mt-30 -60.08 -45.56 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.757 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.3 -52.21 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.278 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 HD11 ' A' ' 38' ' ' LEU . 4.2 pp -70.06 -18.82 63.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.437 -176.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -83.07 -41.4 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m 61.45 24.03 14.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.709 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -123.2 101.16 38.51 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.72 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 104.48 0.86 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.282 2.655 . . . . 0.0 112.227 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -94.84 105.34 17.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 tp 72.33 -66.56 0.3 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.573 0.749 . . . . 0.0 112.017 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -158.76 -39.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.304 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.65 -159.16 0.32 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.835 0.71 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.023 177.308 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.406 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 15.4 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.7 -160.08 12.57 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -101.16 119.78 39.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.175 0.488 . . . . 0.0 109.883 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -67.57 144.73 55.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.711 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.36 149.18 28.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.289 . . . . 0.0 110.484 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -137.03 150.19 47.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.923 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -156.03 -63.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.181 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -155.12 110.13 3.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -115.44 112.61 22.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.556 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -147.44 99.3 3.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.094 0.473 . . . . 0.0 110.46 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -78.01 72.46 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.353 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -85.77 129.8 34.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.424 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.409 ' HA2' HG23 ' B' ' 96' ' ' VAL . . . 157.47 -107.8 0.34 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 45.5 mtm105 69.16 31.42 4.02 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -86.0 75.17 10.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.521 0.677 . . . . 0.0 109.536 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -76.81 115.09 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.51 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.463 HD12 ' HA3' ' B' ' 21' ' ' GLY . 0.3 OUTLIER -131.76 -14.78 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.632 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' B' ' 22' ' ' MET . 63.4 t80 65.85 168.72 0.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.198 0.599 . . . . 0.0 110.558 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.1 149.88 14.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 111.734 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 61.87 89.4 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.273 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.463 ' HA3' HD12 ' B' ' 17' ' ' LEU . . . 137.67 -56.94 0.66 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -173.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 11.1 ptp -65.92 125.34 25.08 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.463 HG23 ' HA ' ' A' ' 20' ' ' GLN . 31.9 m -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.361 -170.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.21 -54.53 6.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -79.02 -5.26 53.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.614 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.91 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.154 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.28 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.325 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.7 OUTLIER -63.05 -51.33 67.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.86 -174.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.648 ' HA ' ' HZ3' ' B' ' 32' ' ' LYS . 30.1 m-20 -76.35 -40.35 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -176.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.88 -37.61 78.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.046 0.45 . . . . 0.0 110.527 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -63.45 -40.89 98.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.648 ' HZ3' ' HA ' ' B' ' 29' ' ' ASP . 38.0 mtmm -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.867 -175.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' A' ' 79' ' ' PRO . 38.1 pt -75.67 -33.27 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.87 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -71.34 -32.23 68.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.436 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 75.6 m -61.24 -31.05 70.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.163 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.14 73.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.384 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' B' ' 83' ' ' ALA . 4.4 pp -72.46 -24.52 61.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 110.608 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.748 ' HA ' ' HE2' ' B' ' 84' ' ' LYS . 9.6 tt -68.05 -38.87 82.95 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 1.008 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.2 OUTLIER -70.44 -57.23 5.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.908 -178.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 6.2 m -161.33 84.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.98 -21.23 64.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.94 HD12 ' HA ' ' B' ' 56' ' ' CYS . 1.3 mt -126.72 -156.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -173.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.484 ' H ' HG22 ' B' ' 42' ' ' ILE . 41.3 mt-10 -103.43 142.56 34.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.176 0.513 . . . . 0.0 111.747 -170.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.866 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -130.43 115.12 30.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.482 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.611 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.8 m -87.35 142.84 27.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.328 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.848 ' HG2' ' H ' ' B' ' 51' ' ' GLY . 0.0 OUTLIER -83.13 -175.56 5.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.534 0.683 . . . . 0.0 111.702 178.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.26 -23.22 14.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.61 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -165.87 101.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.786 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.18 -85.6 0.1 OUTLIER Glycine 0 C--N 1.317 -0.525 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.363 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.848 ' H ' ' HG2' ' B' ' 47' ' ' GLU . . . 178.65 147.53 7.1 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.866 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -65.71 124.39 22.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.084 0.469 . . . . 0.0 110.735 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -132.47 138.64 47.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.739 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -91.46 133.32 35.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -108.74 104.45 13.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.94 ' HA ' HD12 ' B' ' 42' ' ' ILE . 73.4 m -78.11 86.56 4.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -60.84 -33.27 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.198 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 25.3 p -107.68 -29.58 9.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.482 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.55 33.06 7.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.26 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.12 155.2 31.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.649 0.261 . . . . 0.0 110.468 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -119.85 140.91 50.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.743 HG22 ' HD2' ' B' ' 64' ' ' PRO . 4.6 p -146.71 155.72 48.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.743 ' HD2' HG22 ' B' ' 63' ' ' VAL . 75.0 Cg_exo -51.44 168.85 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.648 2.232 . . . . 0.0 113.291 172.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -73.62 164.3 26.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 81.7 mt 60.85 26.37 16.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 -172.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 60.72 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.861 -172.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m 57.29 28.13 14.76 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.893 0.854 . . . . 0.0 109.68 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.507 ' HA3' HG21 ' B' ' 63' ' ' VAL . . . -125.68 -128.43 3.21 Favored Glycine 0 N--CA 1.441 -1.017 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.344 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' B' ' 69' ' ' GLY . 9.8 m-20 70.32 -11.16 0.61 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.373 0.669 . . . . 0.0 111.304 -175.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' B' ' 69' ' ' GLY . 0.0 OUTLIER -84.93 -27.22 26.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.006 0.432 . . . . 0.0 110.039 173.383 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.69 125.62 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.91 118.39 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.37 0.605 . . . . 0.0 110.391 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -110.56 157.4 19.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.299 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 113.72 3.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.415 0.447 . . . . 0.0 109.84 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.575 ' HA ' HG21 ' B' ' 81' ' ' VAL . 82.3 m-20 -80.9 4.31 19.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.528 0.68 . . . . 0.0 110.45 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.42 -8.39 58.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.871 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.32 138.14 42.06 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.06 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.88 -15.54 47.98 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.496 . . . . 0.0 112.694 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.439 HG13 HD13 ' B' ' 37' ' ' LEU . 60.9 t -62.99 -36.16 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' B' ' 76' ' ' ASP . 44.0 t -71.91 -35.28 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.015 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.509 ' O ' HG13 ' B' ' 86' ' ' ILE . 25.3 mm -56.89 -50.64 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.485 ' HB3' HD11 ' B' ' 37' ' ' LEU . . . -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -177.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' B' ' 38' ' ' LEU . 84.0 mttt -63.34 -41.4 98.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.287 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -58.54 -42.41 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.947 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.509 HG13 ' O ' ' B' ' 82' ' ' ILE . 78.4 mt -60.34 -50.65 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.383 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.9 -14.55 61.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 111.528 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.9 m -90.11 -4.39 57.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 71.2 m -66.66 -53.57 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.827 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.424 ' HG2' ' HG2' ' B' ' 92' ' ' LYS . 37.4 ttp180 -155.13 89.9 3.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.155 0.502 . . . . 0.0 110.275 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -81.24 80.36 3.0 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.741 2.294 . . . . 0.0 113.101 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.424 ' HG2' ' HG2' ' B' ' 90' ' ' ARG . 21.0 ptmt -157.17 177.38 11.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.525 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 61.4 tp 69.26 106.82 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.907 0.754 . . . . 0.0 111.602 177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' B' ' 95' ' ' ALA . 75.6 t60 -139.92 146.69 39.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.905 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' ' 94' ' ' HIS . . . 78.7 137.63 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.27 0.982 . . . . 0.0 112.299 176.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.409 HG23 ' HA2' ' B' ' 13' ' ' GLY . 58.5 t . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.406 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.783 ' HB2' HG23 ' A' ' 68' ' ' THR . 25.3 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.76 -156.44 8.95 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.049 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 4' ' ' SER . 17.5 m 63.14 -89.32 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.89 0.476 . . . . 0.0 110.852 -177.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 3' ' ' SER . 8.8 t 175.45 177.58 0.18 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -127.62 82.06 2.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.637 0.732 . . . . 0.0 110.594 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -45.4 138.15 4.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.008 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -163.06 10.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.389 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -88.53 78.96 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 110.972 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -154.09 -78.04 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.191 173.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m80 61.65 97.48 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.779 0.675 . . . . 0.0 111.574 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -70.12 154.45 41.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -113.48 147.58 37.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.956 0.408 . . . . 0.0 111.592 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.19 160.47 10.15 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -151.72 91.01 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.291 0.545 . . . . 0.0 110.297 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -90.27 131.59 36.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.427 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -122.92 81.49 1.88 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -132.35 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.183 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' B' ' 89' ' ' SER . 76.7 t80 -135.38 158.88 43.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.312 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -63.48 93.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 178.73 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.49 53.23 0.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.488 175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.416 ' HB3' ' HD1' ' B' ' 19' ' ' PHE . 17.8 mmt -85.24 114.12 22.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.608 0.242 . . . . 0.0 110.425 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.9 p -101.92 -169.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.04 -42.09 65.39 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.377 0.671 . . . . 0.0 111.954 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 p -77.87 -9.69 59.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -22.26 65.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.129 0.49 . . . . 0.0 110.377 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.63 69.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.991 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -51.32 59.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -70.81 -37.38 73.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.1 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.11 -37.62 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.535 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -74.51 -29.08 61.26 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.4 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 34.1 ttmt -53.81 -43.72 69.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.242 0.544 . . . . 0.0 110.083 173.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.658 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 39.2 mt -62.66 -44.28 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.269 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -64.84 -32.34 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.076 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 61.5 m -58.29 -30.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' HD21 ' B' ' 58' ' ' LEU . . . -62.15 -47.2 85.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.011 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 pp -78.84 -24.73 44.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.35 -31.04 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 35' ' ' THR . 10.3 mtmp? -75.68 -41.8 52.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.461 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 m -152.56 -75.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.316 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.78 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 66.45 -65.18 0.2 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.42 0.688 . . . . 0.0 111.914 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.6 mt -53.15 147.4 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.762 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.26 145.93 30.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 111.134 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -111.4 126.94 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-O 121.346 0.593 . . . . 0.0 111.472 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 53' ' ' HIS . 9.9 m -102.66 106.61 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.592 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 23.6 t -101.08 134.62 43.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.665 0.745 . . . . 0.0 111.577 -173.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.11 132.07 55.58 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.071 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.56 -38.44 77.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.079 0.466 . . . . 0.0 109.799 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.71 -50.66 56.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.821 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.59 -103.99 0.79 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.33 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.18 -171.84 31.9 Favored Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -91.1 118.0 30.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 83.6 m-70 -103.2 124.83 49.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.38 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -126.24 138.3 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.521 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.2 t -91.81 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -10.79 59.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.455 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.572 HD21 ' HD2' ' A' ' 79' ' ' PRO . 10.3 tp -95.02 -26.94 15.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.026 -171.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.14 -19.28 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.516 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.59 11.22 64.34 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.922 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.96 132.9 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.886 0.343 . . . . 0.0 110.634 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.3 m -112.73 124.89 53.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.057 0.456 . . . . 0.0 111.405 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.56 136.91 19.88 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.548 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 1.5 Cg_endo -44.83 -59.35 1.17 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.56 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 3.9 t-105 -179.76 -78.65 0.01 OUTLIER 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.777 0.673 . . . . 0.0 109.895 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 65' ' ' TRP . 68.6 mt -109.66 95.43 5.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.387 0.613 . . . . 0.0 111.574 -177.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -132.51 -94.57 0.34 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 172.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.783 HG23 ' HB2' ' A' ' 1' ' ' MET . 3.4 m -151.92 96.79 2.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.16 -26.59 63.86 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.617 -169.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -101.17 -1.33 34.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.56 0.68 . . . . 0.0 112.0 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -96.78 4.46 51.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.903 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.5 tt -87.97 155.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.36 130.17 44.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.314 0.578 . . . . 0.0 110.952 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -99.32 178.89 4.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.354 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 78' ' ' CYS . . . -96.09 143.11 27.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -72.47 -16.91 61.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.051 0.453 . . . . 0.0 111.156 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -108.33 4.11 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.869 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 19.6 p -82.42 134.95 47.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.816 -177.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.656 ' HA ' HG22 ' B' ' 33' ' ' ILE . 91.1 Cg_exo -47.4 -30.58 11.69 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.091 3.194 . . . . 0.0 113.903 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 46.9 t -54.73 -39.47 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 111.338 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' SG ' ' A' ' 78' ' ' CYS . 59.2 t -71.75 -44.64 68.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.051 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.84 -41.44 82.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.97 75.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.0 mttt -62.64 -43.56 98.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 177.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.43 -38.06 85.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.752 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.9 mt -72.5 -42.42 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.04 -15.96 61.06 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.462 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.7 m -77.6 83.75 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.921 0.391 . . . . 0.0 110.332 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.43 ' HA ' ' OH ' ' B' ' 18' ' ' TYR . 32.6 t -73.62 87.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.47 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.4 ptp180 -171.5 147.1 2.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.732 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HB3' ' HB3' ' B' ' 16' ' ' ASN . 27.7 Cg_exo -62.3 115.23 2.73 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.522 2.148 . . . . 0.0 111.893 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -118.11 124.58 48.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.902 0.382 . . . . 0.0 111.162 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.433 ' HG ' ' H ' ' A' ' 94' ' ' HIS . 10.3 tp -84.77 -172.35 4.13 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.433 ' H ' ' HG ' ' A' ' 93' ' ' LEU . 44.9 p-80 -68.17 92.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.431 0.634 . . . . 0.0 110.16 175.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -120.88 80.11 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.414 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.25 1.101 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.335 178.068 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.513 0.197 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.14 79.19 0.82 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.613 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 44.9 m -106.38 96.38 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.975 0.417 . . . . 0.0 110.047 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m -132.1 102.61 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' B' ' 7' ' ' HIS . 37.2 t-80 67.86 105.59 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 173.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -97.96 90.67 4.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' B' ' 8' ' ' HIS . 11.1 t-80 -89.07 80.88 6.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.911 0.386 . . . . 0.0 110.815 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 7' ' ' HIS . 9.5 t-160 179.46 100.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.771 171.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -149.57 112.26 4.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.453 0.644 . . . . 0.0 109.52 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -119.85 108.22 14.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.223 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.7 p -87.92 175.55 7.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.197 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -149.87 174.52 12.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.85 -7.83 86.4 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.646 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 68.58 108.98 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.235 0.54 . . . . 0.0 109.939 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -79.08 154.95 29.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.499 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.436 ' HB3' ' HB3' ' A' ' 91' ' ' PRO . 34.5 m-80 -86.5 -39.93 15.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -175.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.18 105.0 13.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.43 ' OH ' ' HA ' ' A' ' 89' ' ' SER . 10.9 p90 -95.89 160.87 14.26 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.086 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.626 ' HA ' ' HB2' ' B' ' 22' ' ' MET . 47.5 m-85 68.65 170.45 0.29 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.766 0.666 . . . . 0.0 111.209 -171.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 73.46 -48.03 0.67 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.558 0.743 . . . . 0.0 110.542 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.09 33.16 3.95 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.626 ' HB2' ' HA ' ' B' ' 19' ' ' PHE . 9.8 ttt -83.5 132.87 34.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.7 p -103.7 -175.6 2.85 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.37 -39.73 67.46 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.788 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -57.79 -20.79 37.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.99 66.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.708 0.289 . . . . 0.0 111.378 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.16 73.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.723 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.62 -47.56 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.84 -27.05 60.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.641 0.258 . . . . 0.0 111.32 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.59 -38.07 75.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 172.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.726 ' HG2' ' HB2' ' B' ' 87' ' ' LEU . 89.3 mtt180 -65.21 -38.16 89.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.206 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.02 -55.25 35.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.363 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.656 HG22 ' HA ' ' A' ' 79' ' ' PRO . 31.5 pt -66.01 -38.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.397 -177.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -75.17 -39.49 60.28 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.0 m -62.06 -35.28 78.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.249 -0.282 . . . . 0.0 111.475 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 79' ' ' PRO . . . -68.25 -44.33 75.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.985 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.918 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.5 pp -73.82 -29.08 61.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' B' ' 84' ' ' LYS . 9.1 tt -72.31 -37.75 68.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.073 177.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 1.012 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.4 OUTLIER -69.38 -57.81 4.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.733 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t -172.72 82.02 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.972 0.891 . . . . 0.0 111.933 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.918 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -97.21 -11.76 23.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.049 170.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.785 HD12 ' HG2' ' B' ' 57' ' ' LYS . 8.5 mm -98.08 -125.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.252 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -168.73 147.05 4.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.428 . . . . 0.0 110.44 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.666 HD11 ' HB1' ' B' ' 52' ' ' ALA . 8.1 tt -79.56 127.43 39.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.438 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.19 116.72 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.412 0.625 . . . . 0.0 110.078 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 15.7 m -91.8 145.82 24.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.863 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.94 151.58 27.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.879 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.32 -33.29 74.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.23 114.92 8.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.789 174.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.38 -92.49 0.17 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.145 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.62 -139.37 2.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.666 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -146.78 135.42 22.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -126.56 121.83 33.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.747 -174.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.645 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 59.0 t30 -82.45 112.63 19.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' B' ' 55' ' ' GLN . 7.2 tt0 -99.12 149.76 22.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.593 -169.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.594 ' HA ' HG13 ' B' ' 42' ' ' ILE . 61.7 m -109.82 117.09 32.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.785 ' HG2' HD12 ' B' ' 42' ' ' ILE . 18.6 ptpt -75.19 7.16 3.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.449 HD21 ' HB1' ' A' ' 36' ' ' ALA . 7.6 mp -109.85 -47.5 3.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 111.697 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 64.2 m -89.74 -9.15 50.44 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.98 44.28 97.63 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.78 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.15 163.55 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.3 m -137.68 142.96 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.989 0.423 . . . . 0.0 111.184 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.439 HG11 ' HA2' ' B' ' 69' ' ' GLY . 7.6 p -108.32 130.42 22.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.536 ' HB2' ' CG ' ' B' ' 67' ' ' GLN . 45.4 Cg_exo -56.42 146.36 74.2 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.637 2.225 . . . . 0.0 112.604 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.45 138.07 57.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.288 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt 67.29 22.41 9.6 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.368 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.536 ' CG ' ' HB2' ' B' ' 64' ' ' PRO . 15.1 mm100 -83.95 -71.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 171.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.9 t -175.25 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.962 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.439 ' HA2' HG11 ' B' ' 63' ' ' VAL . . . 69.42 80.32 0.26 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.297 -178.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -165.33 -51.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.78 0.324 . . . . 0.0 110.211 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.94 89.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.673 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.553 ' HB ' ' NZ ' ' B' ' 84' ' ' LYS . 38.2 mm -132.79 92.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -130.09 85.65 2.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.599 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -123.65 -14.55 7.25 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.257 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.35 116.21 0.6 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.56 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -82.09 -10.72 59.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.33 0.586 . . . . 0.0 110.28 -173.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.851 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.462 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 84.1 m -78.31 133.83 63.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.658 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 51.3 Cg_exo -56.62 -30.99 85.55 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.237 2.625 . . . . 0.0 112.981 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 24.7 m -69.68 -30.93 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.79 0.329 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -75.5 -47.2 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.494 ' O ' HG12 ' B' ' 86' ' ' ILE . 10.7 tp -61.16 -35.76 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.583 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.401 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -54.65 -43.45 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.071 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.553 ' NZ ' ' HB ' ' B' ' 72' ' ' ILE . 92.6 mttt -61.5 -42.15 98.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.617 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.13 -27.28 65.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.35 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.494 HG12 ' O ' ' B' ' 82' ' ' ILE . 48.3 mm -74.3 -39.25 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.098 0.475 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.726 ' HB2' ' HG2' ' B' ' 31' ' ' ARG . 4.6 pp -89.03 -0.45 57.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.843 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.8 p -53.13 -55.24 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.741 -174.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.457 ' HA ' ' CE1' ' A' ' 18' ' ' TYR . 9.2 t 73.09 152.77 0.13 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.981 0.801 . . . . 0.0 110.31 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 58.63 63.34 4.05 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.84 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -87.1 143.65 6.82 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.217 1.945 . . . . 0.0 112.113 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 65.51 22.75 11.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.645 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tt -97.0 -69.61 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -94.79 145.44 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.472 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.39 131.68 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.112 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.601 179.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.15 96.98 2.22 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.8 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -139.95 84.79 1.99 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.212 0.529 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.1 p -74.85 112.15 10.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.36 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -88.1 111.88 22.06 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -59.93 107.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.752 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.45 112.11 19.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.317 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -126.03 97.69 5.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.069 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -149.25 152.13 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.064 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -113.41 114.72 26.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.15 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 m -85.95 99.73 11.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.079 0.466 . . . . 0.0 110.285 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 p -113.71 -60.77 1.84 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.43 148.41 18.99 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.735 ' HD3' ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -106.06 97.83 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.635 0.731 . . . . 0.0 109.563 177.61 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.587 ' HB2' HG21 ' A' ' 25' ' ' THR . 4.6 mm-40 -88.87 86.02 6.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.581 -174.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -96.66 111.99 23.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.163 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.16 -172.91 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.979 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -117.28 159.89 21.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -62.62 -11.22 15.54 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.783 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -73.77 -34.71 64.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.864 0.364 . . . . 0.0 110.425 177.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.68 104.81 0.9 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.929 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.446 ' HE3' ' HG3' ' B' ' 22' ' ' MET . 23.8 mmt -91.02 109.25 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 0.0 111.348 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 p -91.94 -70.56 0.68 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.609 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.86 -36.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.839 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.587 HG21 ' HB2' ' A' ' 15' ' ' GLU . 20.1 p -74.95 9.08 2.08 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.88 67.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.602 . . . . 0.0 109.952 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.689 ' HA ' ' CE1' ' B' ' 19' ' ' PHE . . . -68.56 -28.63 67.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.171 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.78 -55.17 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 10.9 t70 -69.99 -38.36 75.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -173.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.61 -40.33 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.017 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 31' ' ' ARG . 24.4 ttt85 -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 37.0 ttmt -53.92 -42.54 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.087 174.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.944 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 42.3 mt -70.04 -46.99 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.731 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 37' ' ' LEU . . . -59.98 -32.48 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.012 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.483 ' HA ' HD23 ' A' ' 38' ' ' LEU . 67.4 m -55.03 -29.3 57.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.892 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.89 71.52 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.773 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 3.9 pp -74.19 -23.85 59.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.941 0.4 . . . . 0.0 110.958 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 35' ' ' THR . 3.2 mm? -73.63 -25.86 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.108 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -80.56 -58.15 3.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.6 p -137.79 -69.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.773 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . . . 68.87 -60.93 0.43 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.009 0.818 . . . . 0.0 112.028 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.4 mt -73.22 142.35 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.203 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' OE2' ' HB2' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -110.73 151.32 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.728 177.022 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.3 pt -102.09 118.79 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 53' ' ' HIS . 21.4 t -97.07 141.39 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 t -126.46 136.82 53.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.322 0.582 . . . . 0.0 110.848 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 59.9 mt-10 -138.24 155.52 48.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.146 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.46 -25.81 23.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -82.44 -52.13 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.366 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -90.56 -41.55 5.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.238 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 47' ' ' GLU . . . 115.44 -156.05 15.9 Favored Glycine 0 N--CA 1.438 -1.172 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -177.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.19 34.63 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 120.852 0.358 . . . . 0.0 110.294 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.528 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 93.9 m-70 -121.24 127.48 51.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.256 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -91.23 105.47 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -117.91 143.79 46.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.138 0.494 . . . . 0.0 111.654 -170.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.545 ' CB ' ' HB2' ' A' ' 59' ' ' CYS . 62.3 m -91.92 111.82 23.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.939 172.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HZ2' ' HB2' ' A' ' 57' ' ' LYS . 4.7 ttmp? -40.29 -50.75 2.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -171.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' H ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -129.83 7.53 5.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 112.166 -173.099 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.545 ' HB2' ' CB ' ' A' ' 56' ' ' CYS . 74.1 m -85.57 -5.55 59.27 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.33 44.8 84.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.914 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.76 138.13 19.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.973 0.416 . . . . 0.0 111.443 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -140.96 130.63 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.35 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.11 143.28 48.73 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HB2' ' HB2' ' A' ' 67' ' ' GLN . 84.1 Cg_exo -46.84 136.86 16.72 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.858 2.372 . . . . 0.0 112.351 173.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -58.37 127.81 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.623 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt 71.96 8.51 6.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.398 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.32 -42.2 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 71' ' ' GLU . 2.0 p -144.21 -76.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 111.277 178.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 121.18 -97.24 0.62 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.955 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.19 -25.23 58.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.746 0.307 . . . . 0.0 110.947 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HB3' ' HB ' ' A' ' 68' ' ' THR . 11.7 tp10 -75.66 93.32 3.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.312 0.577 . . . . 0.0 109.611 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.419 HG12 ' N ' ' A' ' 73' ' ' LYS . 14.6 tt -165.0 172.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -175.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 72' ' ' ILE . 55.8 mttp -68.65 148.7 50.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.248 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -129.99 157.29 42.75 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.41 143.06 30.09 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -103.81 -22.25 13.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.066 0.46 . . . . 0.0 110.909 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.56 -0.65 51.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.637 0.732 . . . . 0.0 110.414 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -74.51 150.12 86.73 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.196 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.585 ' HB3' ' HG2' ' B' ' 32' ' ' LYS . 47.9 Cg_endo -69.26 -9.79 27.23 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.743 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 HD21 ' A' ' 58' ' ' LEU . 60.4 t -62.1 -38.6 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.283 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 48.4 t -62.93 -46.28 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.024 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.427 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.4 mm -58.08 -46.64 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.735 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -43.38 80.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -61.43 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.806 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 47.0 mt-30 -62.74 -38.78 91.87 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 82' ' ' ILE . 69.4 mt -61.82 -55.2 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.566 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.8 -18.56 63.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.326 -174.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.7 m -81.36 -40.51 23.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.623 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m 62.37 16.47 8.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.624 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 31.1 ptt180 -127.83 119.29 21.24 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.874 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 2.2 Cg_endo -81.93 117.33 2.91 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.927 2.418 . . . . 0.0 112.481 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -103.68 107.22 17.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.875 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -111.5 -81.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 54.94 -91.29 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.688 0.618 . . . . 0.0 111.819 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' HB ' ' A' ' 96' ' ' VAL . . . -152.98 53.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 95' ' ' ALA . 59.0 t . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.119 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.75 143.71 3.74 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.645 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -84.41 151.91 24.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.3 t -72.54 105.46 4.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.175 0.512 . . . . 0.0 110.459 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -123.84 -179.56 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.857 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -111.07 122.39 47.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.884 0.373 . . . . 0.0 111.227 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -89.53 133.86 34.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -121.52 98.07 5.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.962 0.411 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -114.63 113.73 24.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.698 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -91.24 154.81 19.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.3 m -56.03 114.09 1.79 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.416 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.56 132.7 54.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.782 -178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.22 -166.03 34.52 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.656 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -143.74 135.69 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.515 ' H ' ' CD ' ' B' ' 15' ' ' GLU . 0.1 OUTLIER -84.33 -28.8 26.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.943 -176.304 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 93.6 m-20 -79.46 -11.0 59.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.266 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' B' ' 16' ' ' ASN . 47.4 tp 71.99 158.21 0.19 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.799 0.687 . . . . 0.0 110.454 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' B' ' 19' ' ' PHE . 17.7 t80 -112.25 149.13 32.76 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.689 ' CE1' ' HA ' ' A' ' 27' ' ' ALA . 19.8 m-85 74.7 130.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.973 0.796 . . . . 0.0 111.206 -175.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 70.28 -67.4 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.183 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 41.88 3.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.707 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.604 ' SD ' ' HA ' ' B' ' 19' ' ' PHE . 14.5 ptm -111.87 123.64 50.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.687 0.756 . . . . 0.0 110.382 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 60.8 m -138.47 136.14 35.89 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.389 -171.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 t70 66.49 -75.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.971 0.795 . . . . 0.0 112.764 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -73.55 -4.48 34.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.703 -171.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.73 -37.79 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.681 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.96 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.81 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.87 -43.16 25.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -64.41 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.29 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.89 -32.37 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.297 0.57 . . . . 0.0 110.031 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.13 -31.32 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.019 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.585 ' HG2' ' HB3' ' A' ' 79' ' ' PRO . 50.1 tttp -56.94 -54.37 47.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.531 HG22 ' HB2' ' A' ' 79' ' ' PRO . 34.6 pt -72.82 -31.8 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.752 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.65 -30.16 71.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.643 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -54.58 -35.45 63.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.55 97.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.36 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.595 ' HB2' HG13 ' B' ' 80' ' ' VAL . 3.9 pp -81.39 -23.26 37.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.973 0.416 . . . . 0.0 110.946 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.47 -38.04 68.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.77 -51.16 70.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.262 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -160.98 -37.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.747 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . 68.73 -64.37 0.32 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.765 HG13 ' HA ' ' B' ' 56' ' ' CYS . 12.5 mm -107.52 174.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.448 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.64 ' H ' HG22 ' B' ' 42' ' ' ILE . 2.7 pm0 -103.51 158.61 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 0.0 110.792 -176.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.452 ' O ' HD12 ' B' ' 44' ' ' ILE . 2.2 pp -117.42 143.34 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.248 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 m -112.92 128.0 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.914 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -89.65 138.31 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.762 -172.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.94 102.18 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 54.33 -85.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.82 0.7 . . . . 0.0 111.664 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.17 9.49 0.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.571 0.7 . . . . 0.0 109.985 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.13 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.268 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.75 -155.55 8.92 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.517 -0.849 . . . . 0.0 111.957 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' HB2' ' B' ' 65' ' ' TRP . . . -145.85 155.15 42.71 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.796 0.331 . . . . 0.0 110.372 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -112.93 123.24 49.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.387 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' B' ' 42' ' ' ILE . 48.6 t-20 -91.58 113.82 26.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.421 ' O ' HG21 ' B' ' 42' ' ' ILE . 7.4 pt20 -113.16 100.76 8.84 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.765 ' HA ' HG13 ' B' ' 42' ' ' ILE . 22.0 p -51.66 123.67 10.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.673 0.749 . . . . 0.0 111.654 -171.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.536 ' H ' HD12 ' B' ' 42' ' ' ILE . 22.1 ttpt -78.69 44.95 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.61 -174.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.515 HD22 HG23 ' B' ' 80' ' ' VAL . 11.4 tp -158.08 -63.18 0.09 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.754 -172.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' B' ' 56' ' ' CYS . 53.0 t -89.89 -37.98 14.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.568 -174.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.82 -1.03 45.06 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.579 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.09 148.46 26.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.723 -0.281 . . . . 0.0 110.308 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' B' ' 54' ' ' ASN . 19.5 m -116.27 146.08 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.62 ' HB ' HD11 ' B' ' 72' ' ' ILE . 8.0 p -130.78 136.21 28.56 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 177.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.477 ' HG2' HE21 ' B' ' 67' ' ' GLN . 25.1 Cg_endo -62.62 140.24 80.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.918 2.412 . . . . 0.0 113.018 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.482 ' HB2' ' HB3' ' B' ' 52' ' ' ALA . 22.5 t90 -57.91 146.2 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.591 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 65' ' ' TRP . 88.6 mt 81.73 -20.81 0.34 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.999 0.919 . . . . 0.0 112.693 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.477 HE21 ' HG2' ' B' ' 64' ' ' PRO . 10.0 tt0 -103.01 91.95 4.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.622 -176.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.767 HG22 ' H ' ' B' ' 70' ' ' ASP . 21.1 m 63.6 -77.19 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.461 174.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.57 -9.12 78.25 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.441 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.767 ' H ' HG22 ' B' ' 68' ' ' THR . 13.4 t70 -102.65 -7.4 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.021 0.438 . . . . 0.0 110.795 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 3.12 5.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.62 HD11 ' HB ' ' B' ' 63' ' ' VAL . 49.9 mm -81.23 95.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.142 0.496 . . . . 0.0 110.792 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -121.76 32.84 5.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.715 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.55 -13.46 59.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.967 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.08 96.73 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.59 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.76 -23.13 65.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.85 -172.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -77.2 -23.79 51.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 58' ' ' LEU . 95.6 m -63.78 135.7 96.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.944 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 15.3 Cg_exo -33.49 -60.4 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.822 1 C-N-CA 125.44 4.094 . . . . 0.0 115.18 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.595 HG13 ' HB2' ' B' ' 37' ' ' LEU . 89.8 t -63.4 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 111.406 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.0 -41.69 59.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 86' ' ' ILE . 10.5 tp -66.62 -40.94 87.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.766 0.317 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.518 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -60.42 -38.73 85.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.15 -33.74 72.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.449 HE21 ' HA ' ' B' ' 82' ' ' ILE . 44.7 mt-30 -79.12 -33.51 44.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 82' ' ' ILE . 69.0 mt -62.38 -47.04 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.517 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.752 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.2 pp -72.11 -6.04 39.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.118 0.485 . . . . 0.0 111.148 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -103.42 -66.59 0.93 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.238 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.5 t 64.01 -70.84 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.765 0.826 . . . . 0.0 111.104 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -167.27 83.97 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.06 -161.87 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.106 2.537 . . . . 0.0 111.865 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -101.54 89.77 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.79 -75.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -135.88 108.35 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.558 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.34 165.53 11.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.966 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.166 177.707 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.8 160.54 20.89 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.659 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -155.76 28.32 0.38 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.853 0.359 . . . . 0.0 111.056 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.4 p -76.55 98.07 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.779 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -154.4 75.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.149 0.499 . . . . 0.0 109.689 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.73 138.3 31.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.3 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 174.76 -66.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.581 0.55 . . . . 0.0 110.47 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 67.17 157.32 0.12 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.536 0.522 . . . . 0.0 111.527 -175.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -166.9 148.7 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.719 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -158.14 179.61 9.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -91.26 -20.53 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.995 0.426 . . . . 0.0 110.551 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.2 156.32 21.36 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.562 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.7 mmm180 -135.47 -89.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 178.44 168.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.098 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -131.02 145.05 51.9 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 170.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' GLY . 20.8 tp -99.0 38.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 110.011 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.0 t80 60.82 -167.64 0.18 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.05 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' HZ ' ' HB ' ' B' ' 30' ' ' VAL . 96.5 m-85 -78.6 0.47 26.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -78.49 -48.69 14.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 17' ' ' LEU . . . -135.27 68.61 0.53 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.001 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 mmt -64.73 136.06 56.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.113 0.482 . . . . 0.0 110.882 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -114.79 -171.3 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.474 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.94 -52.72 54.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.801 0.44 . . . . 0.0 112.143 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.516 ' HB ' ' HB2' ' A' ' 14' ' ' ARG . 1.4 m -79.17 10.34 3.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.069 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.25 -11.65 61.05 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.823 0.821 . . . . 0.0 109.737 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.53 57.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.54 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.42 -48.37 17.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.565 -173.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.603 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 26.4 p-10 -81.69 -46.36 14.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 33' ' ' ILE . 84.4 t -63.3 -35.94 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -73.79 -28.88 61.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.806 -0.559 . . . . 0.0 111.352 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 40.6 mtmt -65.18 -39.81 93.4 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 30' ' ' VAL . 35.1 pt -64.13 -34.09 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 83' ' ' ALA . . . -75.08 -32.54 61.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.3 m -72.46 -30.1 64.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.857 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -55.66 -27.28 49.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.382 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.828 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 63.2 mt -60.45 -42.86 97.03 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.609 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.3 mp -77.27 -28.39 53.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.181 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.22 -52.64 38.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.439 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 7.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 37' ' ' LEU . . . -73.39 -22.57 60.22 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.345 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.3 mt -77.89 145.48 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.806 ' HG2' ' HB3' ' B' ' 43' ' ' GLU . 3.8 tp10 -105.82 157.91 17.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 112.323 -168.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.526 HG23 ' HB1' ' A' ' 52' ' ' ALA . 23.4 mm -117.42 114.59 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.167 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 53' ' ' HIS . 5.5 m -117.88 116.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 172.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.601 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 33.2 t -100.0 160.81 14.03 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.204 -173.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.88 161.58 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.83 175.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -51.79 -44.72 63.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -153.81 112.83 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.669 171.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.76 -86.97 0.1 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.039 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.1 149.62 21.23 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.792 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' HA ' ' HA ' ' A' ' 46' ' ' SER . . . -72.01 154.54 41.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.071 -0.565 . . . . 0.0 111.308 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 95.5 m-70 -122.46 126.16 47.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -82.26 105.55 13.43 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 172.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.544 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 0.1 OUTLIER -106.86 116.44 31.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.1 0.476 . . . . 0.0 110.991 -168.296 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.72 90.38 8.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.876 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -73.92 9.46 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.395 -175.231 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD21 ' HB1' ' B' ' 36' ' ' ALA . 7.0 mp -106.57 15.11 26.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' HB2' ' HD2' ' A' ' 74' ' ' HIS . 30.6 t -155.77 -27.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.463 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.56 56.12 2.31 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.526 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' HD13 ' A' ' 72' ' ' ILE . . . -152.72 133.85 14.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.623 0.249 . . . . 0.0 110.444 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.544 ' HB3' ' HG2' ' A' ' 55' ' ' GLN . 65.2 p -120.31 152.53 37.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.59 HG11 ' HA2' ' A' ' 69' ' ' GLY . 7.6 p -141.46 137.96 17.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.661 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.75 141.07 11.94 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.803 2.335 . . . . 0.0 112.868 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 3.1 t-105 -69.03 160.8 30.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.187 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 3.3 mm? 74.17 -17.84 0.44 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.35 0.66 . . . . 0.0 111.471 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.475 HE21 ' HB2' ' A' ' 70' ' ' ASP . 49.2 tt0 -82.15 2.67 30.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.162 0.506 . . . . 0.0 110.295 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.1 m 73.73 -53.43 0.69 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.59 ' HA2' HG11 ' A' ' 63' ' ' VAL . . . 166.04 -26.63 0.17 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.671 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' HB2' HE21 ' A' ' 67' ' ' GLN . 34.8 t70 69.65 -1.4 2.29 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.908 0.483 . . . . 0.0 111.583 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 52.33 48.36 22.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.589 HD13 ' HB1' ' A' ' 61' ' ' ALA . 16.6 tt -57.45 145.28 8.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.218 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 31.0 mmtp -60.54 146.56 44.62 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 111.592 -174.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.413 ' HE1' HG23 ' A' ' 81' ' ' VAL . 13.4 t-80 -144.15 146.45 32.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.571 -163.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 99.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 168.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.25 -14.04 60.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -160.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -89.48 -3.14 58.5 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.88 153.84 30.84 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.879 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' HA ' HG22 ' A' ' 82' ' ' ILE . 11.5 Cg_endo -54.52 -19.01 16.53 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.567 2.845 . . . . 0.0 113.775 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.76 -47.04 92.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.413 HG23 ' HE1' ' A' ' 74' ' ' HIS . 99.5 t -74.37 -39.56 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.769 -175.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 79' ' ' PRO . 11.1 tp -65.87 -35.87 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.095 0.474 . . . . 0.0 109.898 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 34' ' ' ALA . . . -65.57 -39.78 92.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.24 173.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.43 -42.0 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.625 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.09 -43.23 99.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.592 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 82' ' ' ILE . 72.0 mt -62.3 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.32 -5.95 57.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.9 t -93.77 14.31 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -53.07 136.05 36.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 61.56 76.36 0.4 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.272 -167.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -94.99 97.68 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 123.471 2.78 . . . . 0.0 111.65 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -83.58 67.12 9.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.842 0.83 . . . . 0.0 110.107 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.23 0.48 11.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.058 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 57.65 76.79 0.31 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 72.57 137.17 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.702 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.721 179.407 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.77 30.34 0.92 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.464 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -103.54 109.48 21.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.407 . . . . 0.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 26.3 p -150.51 -79.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -135.19 14.84 3.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 173.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -87.43 95.48 10.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.313 -1.767 . . . . 0.0 111.223 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -175.22 102.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.477 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -175.32 162.05 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 42.2 m80 62.38 -160.25 0.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.353 0.408 . . . . 0.0 110.164 -176.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m80 67.18 37.98 3.52 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.988 0.423 . . . . 0.0 111.014 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -77.72 -20.12 54.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m 67.99 153.08 0.09 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.896 0.747 . . . . 0.0 111.928 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -7.67 78.58 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.614 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 69.83 -74.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.491 0.716 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.681 ' HG3' ' H ' ' B' ' 16' ' ' ASN . 5.0 pt-20 -148.39 -93.66 0.08 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.036 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.681 ' H ' ' HG3' ' B' ' 15' ' ' GLU . 66.8 t30 58.76 -163.44 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.463 ' H ' ' CG ' ' B' ' 16' ' ' ASN . 7.5 mp -77.1 86.42 3.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.09 123.98 30.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 70.87 163.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.65 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 61.93 16.92 8.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.542 0.687 . . . . 0.0 110.086 -166.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.67 149.45 5.81 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 7.1 mmt -150.38 157.7 43.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.931 0.365 . . . . 0.0 110.589 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -99.16 171.03 8.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.621 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.91 -41.0 99.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.977 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.614 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.22 67.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.566 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.53 -37.01 82.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' B' ' 31' ' ' ARG . 8.8 tp10 -68.29 -44.67 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.892 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.87 -41.88 86.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.547 ' HB ' ' HZ ' ' A' ' 19' ' ' PHE . 92.5 t -72.41 -38.49 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.443 ' HD2' ' CD ' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -66.45 -29.86 70.08 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.786 176.508 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.443 ' CD ' ' HD2' ' B' ' 31' ' ' ARG . 12.5 mptt -64.86 -50.48 66.46 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -67.29 -32.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.753 0.311 . . . . 0.0 110.984 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.65 74.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -70.3 -30.63 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.687 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.459 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -55.12 -48.33 73.78 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -175.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.647 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.567 HD22 HD21 ' B' ' 87' ' ' LEU . 10.1 mp -80.07 -26.67 39.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 111.539 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -84.3 -58.2 2.85 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 11.6 t -136.04 -1.63 2.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.156 -0.617 . . . . 0.0 112.523 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -62.72 -31.23 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.395 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.431 HG23 ' O ' ' B' ' 55' ' ' GLN . 75.5 mt -93.41 115.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.225 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.806 ' HB3' ' HG2' ' A' ' 43' ' ' GLU . 4.2 tp10 -119.22 155.99 30.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' C ' ' B' ' 53' ' ' HIS . 18.5 tt -103.67 129.12 56.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.177 0.513 . . . . 0.0 111.02 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.54 127.82 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.02 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 37.2 m -89.63 161.27 16.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.104 0.478 . . . . 0.0 111.66 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -90.81 -157.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.91 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.98 -50.27 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.081 0.467 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -154.79 -26.44 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.133 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.51 -35.34 91.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.446 -0.407 . . . . 0.0 114.073 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.76 -149.51 13.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.897 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 46' ' ' SER . . . -144.85 168.33 20.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.65 0.262 . . . . 0.0 110.499 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.41 ' C ' HG13 ' B' ' 44' ' ' ILE . 84.3 m-70 -130.12 113.98 15.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 110.368 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.63 116.76 24.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.431 ' O ' HG23 ' B' ' 42' ' ' ILE . 10.6 pt20 -111.36 115.87 30.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.339 0.59 . . . . 0.0 111.92 -171.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 80.5 m -80.85 91.2 5.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.473 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -54.9 -46.3 74.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.795 -171.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.41 -13.91 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 26.3 m -102.58 -27.59 12.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.783 0.325 . . . . 0.0 110.501 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.17 34.73 22.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.044 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.492 ' HB3' HG23 ' B' ' 72' ' ' ILE . . . -136.54 135.82 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.753 0.311 . . . . 0.0 110.59 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -117.25 145.74 43.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.946 0.403 . . . . 0.0 110.597 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.678 ' HB ' HD11 ' B' ' 72' ' ' ILE . 12.7 p -135.5 137.11 25.3 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' B' ' 67' ' ' GLN . 6.4 Cg_endo -50.88 158.03 3.36 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.633 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -41.38 -64.64 0.53 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.939 0.896 . . . . 0.0 111.881 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mp -123.63 92.12 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.352 0.596 . . . . 0.0 111.307 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.527 ' HB2' ' HG2' ' B' ' 64' ' ' PRO . 22.1 tt0 -127.06 -54.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.796 172.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.466 HG22 HE21 ' B' ' 67' ' ' GLN . 14.5 t 174.11 152.66 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.871 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.2 14.75 64.67 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.365 -0.921 . . . . 0.0 111.543 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' B' ' 71' ' ' GLU . 27.4 t70 -113.16 -173.36 2.24 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.472 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 26.4 mt-10 62.4 10.73 4.12 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.813 0.845 . . . . 0.0 112.132 -176.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.678 HD11 ' HB ' ' B' ' 63' ' ' VAL . 47.0 mm -83.16 95.57 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 171.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.55 100.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -72.63 138.26 46.63 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.511 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' B' ' 78' ' ' CYS . . . -78.68 134.44 37.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.3 174.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.86 -23.16 58.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.12 0.486 . . . . 0.0 110.732 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.14 -0.53 41.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.573 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.578 ' HB3' ' HB3' ' B' ' 75' ' ' ALA . 17.8 p -74.97 154.59 86.77 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.439 ' HB3' HG22 ' A' ' 33' ' ' ILE . 15.5 Cg_exo -70.05 -10.81 29.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.0 2.467 . . . . 0.0 113.084 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.8 -45.58 91.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.562 0.22 . . . . 0.0 111.239 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' B' ' 84' ' ' LYS . 48.4 t -58.82 -49.86 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.454 ' O ' HG13 ' B' ' 86' ' ' ILE . 7.3 tp -67.7 -45.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -177.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.32 93.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.871 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' B' ' 38' ' ' LEU . 12.0 ptmm? -64.85 -27.59 68.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.993 0.425 . . . . 0.0 110.965 -177.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -76.23 -41.39 49.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.485 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.3 mt -62.16 -45.01 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 0.0 111.54 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.567 HD21 HD22 ' B' ' 38' ' ' LEU . 4.6 pp -75.46 -5.78 46.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.229 0.538 . . . . 0.0 111.018 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.7 t -92.22 13.15 19.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.9 t -82.25 67.58 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.393 -178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -141.18 140.83 21.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.27 141.55 96.84 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.077 2.518 . . . . 0.0 112.401 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -95.3 144.75 25.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.31 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.42 -40.65 6.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 172.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 67.84 15.22 9.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.282 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 60.06 -169.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.612 178.912 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.599 0.238 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.65 157.39 32.47 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.661 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -83.18 -66.47 0.89 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.764 0.282 . . . . 0.0 110.587 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.8 m 57.23 24.52 9.96 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.36 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -99.45 88.36 3.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -177.29 154.89 1.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.509 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.478 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 33.7 p-80 -140.35 -79.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.265 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.478 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 33.5 m80 -160.99 175.16 12.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.748 -175.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.9 128.37 14.99 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 169.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -147.73 129.27 14.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.448 . . . . 0.0 110.891 -170.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -100.47 128.72 46.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.395 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -153.08 22.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 110.822 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.51 145.3 23.89 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.868 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -142.9 122.59 13.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.878 0.339 . . . . 0.0 110.294 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -166.2 -62.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.612 0.57 . . . . 0.0 110.106 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' MET . 50.5 t30 -143.82 156.96 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.572 -177.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HG ' ' H ' ' A' ' 22' ' ' MET . 5.0 tt -166.83 114.33 0.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -132.04 -45.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -73.29 -105.78 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.925 0.393 . . . . 0.0 111.108 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -106.53 -32.29 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.78 115.68 0.51 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.841 174.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.753 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 1.3 mpt? -88.93 -173.45 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 172.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.7 p 52.49 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.025 0.828 . . . . 0.0 112.161 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 70.8 -63.61 0.41 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.11 -173.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.5 m -64.64 -26.28 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.357 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' A' ' 22' ' ' MET . . . -53.77 -40.27 66.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . -68.96 -38.77 79.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.739 0.304 . . . . 0.0 111.065 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.9 tp10 -85.3 -32.69 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -173.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.08 -41.38 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.657 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.07 -34.03 49.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.673 ' HG2' ' HA ' ' A' ' 87' ' ' LEU . 89.1 mtt180 -61.15 -42.66 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 12.3 mptt -57.85 -32.32 67.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.059 -177.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.662 ' HA ' ' HB2' ' B' ' 79' ' ' PRO . 53.4 mt -64.48 -47.46 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.194 0.521 . . . . 0.0 110.405 177.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.84 -32.66 59.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.12 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.447 ' OG1' ' HA ' ' A' ' 32' ' ' LYS . 2.6 p -62.01 -30.42 70.94 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -173.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.65 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -72.98 -32.84 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.634 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.39 -27.32 41.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.55 -57.29 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.565 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.45 ' OG1' ' HD3' ' B' ' 57' ' ' LYS . 5.7 t -155.98 90.19 1.2 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.341 1.067 . . . . 0.0 110.823 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.556 ' O ' ' HE2' ' A' ' 57' ' ' LYS . . . -140.89 -36.01 0.47 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.029 -1.442 . . . . 0.0 109.207 172.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.5 mt -70.62 124.56 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -105.31 145.95 30.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 0.0 110.942 -173.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.914 HD11 ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -102.54 126.6 56.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.679 178.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.62 130.15 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.132 0.492 . . . . 0.0 110.352 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -99.4 138.7 36.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.785 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -97.8 168.62 10.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.834 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.62 -43.98 19.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -139.32 112.33 8.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.814 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.96 -29.84 1.0 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.221 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.8 163.13 18.38 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.499 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.914 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -73.87 142.05 46.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 122.66 0.384 . . . . 0.0 111.008 176.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -127.35 135.45 50.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.74 ' HB3' ' HB ' ' A' ' 63' ' ' VAL . 7.3 t30 -89.75 112.79 24.18 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -109.39 112.66 24.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.181 0.515 . . . . 0.0 111.696 -174.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 45.4 t -88.61 93.43 9.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.728 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -75.19 0.44 16.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.919 -174.4 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' B' ' 40' ' ' THR . 0.3 OUTLIER -86.59 -55.87 3.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.456 -177.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.7 p -93.96 -29.09 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.41 . . . . 0.0 110.989 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.77 45.52 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 72' ' ' ILE . . . -117.44 134.55 54.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -101.59 134.71 44.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.182 0.515 . . . . 0.0 110.259 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.74 ' HB ' ' HB3' ' A' ' 54' ' ' ASN . 57.2 t -123.18 135.75 26.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.635 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' TRP . 29.5 Cg_exo -63.81 0.78 1.78 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.17 2.58 . . . . 0.0 113.396 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.557 ' H ' HG12 ' A' ' 63' ' ' VAL . 70.2 t-105 72.84 151.05 0.11 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.62 0.768 . . . . 0.0 111.149 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.61 -60.55 0.53 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.714 0.806 . . . . 0.0 109.882 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.96 123.2 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.78 HG23 ' H ' ' A' ' 70' ' ' ASP . 9.4 t -74.45 -24.14 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.785 0.326 . . . . 0.0 111.017 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.59 0.12 89.74 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.497 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.78 ' H ' HG23 ' A' ' 68' ' ' THR . 32.5 t70 56.72 76.95 0.28 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.58 0.705 . . . . 0.0 110.569 -175.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 39.86 78.06 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.844 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.436 HD13 ' HB1' ' A' ' 61' ' ' ALA . 13.4 tt -50.55 142.92 2.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.353 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -55.3 115.02 2.04 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.489 0.662 . . . . 0.0 110.926 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -76.98 160.32 29.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.082 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.1 125.08 29.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -13.85 59.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.718 0.295 . . . . 0.0 111.772 -170.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.35 -25.5 33.8 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.608 0.242 . . . . 0.0 111.498 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 81' ' ' VAL . 31.6 p -79.38 146.7 66.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.434 -175.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.548 ' HG2' ' HB2' ' B' ' 36' ' ' ALA . 33.1 Cg_exo -64.02 0.49 2.07 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.621 2.881 . . . . 0.0 113.845 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.0 -31.62 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.035 0.445 . . . . 0.0 110.355 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 78' ' ' CYS . 16.2 m -62.66 -38.62 82.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 110.856 176.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 32.2 mm -75.03 -39.2 44.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.956 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -54.8 -51.39 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.665 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.93 -51.55 68.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.593 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 82' ' ' ILE . 2.9 pt20 -61.86 -29.8 70.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.663 -172.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 82' ' ' ILE . 75.6 mt -75.77 -50.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.61 0.243 . . . . 0.0 111.48 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.673 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 4.3 pp -81.61 -10.98 59.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 t -112.23 19.69 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -82.66 88.76 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.194 0.521 . . . . 0.0 110.917 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -86.83 147.38 43.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.293 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.95 107.94 0.85 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.854 2.369 . . . . 0.0 112.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -166.37 -165.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.7 -66.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.342 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.46 ' HB3' HG22 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -162.93 151.4 14.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.416 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.26 45.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.099 0.476 . . . . 0.0 111.802 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 94' ' ' HIS . 3.8 m . . . . . 0 C--O 1.247 0.933 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.149 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.668 0.27 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.41 153.57 24.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.718 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -126.95 150.11 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.7 0.286 . . . . 0.0 110.55 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 66.6 m -145.59 112.73 6.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 0.0 110.566 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -129.88 17.18 5.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.97 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -86.16 128.32 34.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.523 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -85.42 150.94 24.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.583 174.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -164.32 117.07 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.28 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -133.33 137.55 45.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 170.33 137.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.416 1.073 . . . . 0.0 108.657 175.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.8 p -128.78 140.09 51.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.94 0.4 . . . . 0.0 111.573 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . 0.422 ' H ' ' HB2' ' B' ' 24' ' ' ASP . 8.7 m -116.96 104.32 11.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.67 83.9 1.13 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.206 -174.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.502 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 35.0 ttt180 -135.3 142.36 45.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.502 ' HG2' ' HG2' ' B' ' 14' ' ' ARG . 50.7 mm-40 60.36 95.58 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 O-C-N 124.066 0.854 . . . . 0.0 111.003 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -78.26 103.51 8.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.954 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 mp -85.59 -84.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.96 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -133.27 -70.53 0.53 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.032 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.447 ' HB2' ' HG2' ' B' ' 22' ' ' MET . 39.1 m-85 -86.13 70.72 10.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.181 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 45.87 73.78 0.16 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.845 0.716 . . . . 0.0 112.035 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' B' ' 15' ' ' GLU . . . 86.35 -47.83 3.81 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.526 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.723 ' HA ' ' HB2' ' B' ' 26' ' ' ALA . 80.8 mtp 68.25 9.21 7.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.375 0.67 . . . . 0.0 112.241 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -93.85 -58.59 2.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.329 0.585 . . . . 0.0 110.207 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.422 ' HB2' ' H ' ' B' ' 12' ' ' SER . 2.0 m-20 -101.26 -55.13 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.312 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -60.57 -27.74 67.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.372 -174.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.723 ' HB2' ' HA ' ' B' ' 22' ' ' MET . . . -57.82 -46.34 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.98 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.52 -28.79 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.742 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.536 ' HG3' ' NH2' ' B' ' 31' ' ' ARG . 25.8 tt0 -78.85 -39.2 35.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.376 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.65 -27.19 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.589 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.85 -30.1 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.045 0.45 . . . . 0.0 109.853 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.536 ' NH2' ' HG3' ' B' ' 28' ' ' GLU . 45.6 ttp180 -55.69 -30.15 60.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 174.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -53.04 -55.37 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.895 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 29.2 pt -77.47 -28.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.108 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.566 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.37 -32.36 73.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -73.97 -34.79 64.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.381 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . . . -61.51 -52.63 63.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.554 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.2 pp -62.93 -23.5 67.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.652 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -78.52 -40.14 35.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.435 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -91.9 -38.92 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.773 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.578 HG23 ' HG ' ' A' ' 58' ' ' LEU . 3.0 t -148.06 87.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 111.511 -177.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -158.74 -60.92 0.07 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.91 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.567 HG22 HD21 ' B' ' 54' ' ' ASN . 49.3 mm -75.42 117.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.331 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.16 171.67 7.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.442 0.639 . . . . 0.0 111.322 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.714 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -137.19 127.63 39.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.249 -176.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 53' ' ' HIS . 9.9 m -101.05 111.1 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.963 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 3.1 p -98.66 123.92 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.501 0.667 . . . . 0.0 112.207 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' B' ' 51' ' ' GLY . 15.0 mm-40 -88.17 116.92 26.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.427 171.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.28 -29.65 70.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.16 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.26 -55.4 8.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.767 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.92 89.26 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.703 -1.237 . . . . 0.0 114.13 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' B' ' 47' ' ' GLU . . . 136.55 123.18 2.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.702 166.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.714 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -106.93 126.28 52.11 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.402 ' HB2' HG23 ' B' ' 45' ' ' VAL . 91.5 m-70 -113.47 109.02 17.99 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.052 -175.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.942 ' HB3' ' HB ' ' B' ' 63' ' ' VAL . 3.4 t-20 -91.66 115.61 28.19 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 173.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.437 ' O ' HG23 ' B' ' 42' ' ' ILE . 40.7 mt-30 -101.98 119.25 38.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 0.0 112.034 -168.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.21 79.22 3.99 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.45 ' HD3' ' OG1' ' A' ' 40' ' ' THR . 15.6 ptpt -70.11 -1.54 10.3 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.212 -169.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.77 -23.81 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.632 0.253 . . . . 0.0 111.388 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.77 -53.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.33 63.39 0.14 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.723 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' B' ' 72' ' ' ILE . . . -137.4 147.17 45.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 25.5 m -125.93 124.64 41.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.942 ' HB ' ' HB3' ' B' ' 54' ' ' ASN . 72.3 t -107.46 131.04 22.01 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.694 178.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 63' ' ' VAL . 21.1 Cg_exo -67.65 -4.34 11.95 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.993 2.462 . . . . 0.0 112.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.805 ' H ' HG12 ' B' ' 63' ' ' VAL . 68.9 t-105 65.98 160.41 0.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.116 0.566 . . . . 0.0 111.347 178.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp 72.74 -15.38 0.51 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.884 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -82.72 35.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.582 0.23 . . . . 0.0 110.714 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m 73.07 -47.46 0.67 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.061 0.545 . . . . 0.0 111.308 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.411 ' C ' ' H ' ' B' ' 71' ' ' GLU . . . 171.76 -23.33 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 t70 77.67 -25.85 0.19 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.756 0.823 . . . . 0.0 111.142 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' B' ' 69' ' ' GLY . 2.6 mp0 56.04 30.27 15.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.78 0.832 . . . . 0.0 112.614 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.56 HD13 ' HB1' ' B' ' 61' ' ' ALA . 7.0 tt -62.51 127.51 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.118 174.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' B' ' 74' ' ' HIS . 79.0 tttt -68.42 152.59 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.933 0.397 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.502 ' N ' ' HG2' ' B' ' 73' ' ' LYS . 79.3 m-70 -119.77 168.05 11.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.079 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -54.49 131.63 43.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 123.766 0.666 . . . . 0.0 111.94 -176.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -70.31 -13.79 62.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.707 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.26 -1.08 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.854 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 71.2 m -97.39 143.28 25.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.662 ' HB2' ' HA ' ' A' ' 33' ' ' ILE . 33.3 Cg_endo -63.94 -9.28 18.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.936 2.424 . . . . 0.0 112.485 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' B' ' 84' ' ' LYS . 44.4 t -57.76 -42.73 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.781 177.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.436 HG12 ' O ' ' B' ' 78' ' ' CYS . 7.1 p -66.36 -39.79 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.23 0.538 . . . . 0.0 110.239 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 86' ' ' ILE . 37.7 mm -59.41 -52.82 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.426 177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.43 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' B' ' 80' ' ' VAL . 6.2 mptp? -63.57 -38.78 92.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.273 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 81' ' ' VAL . 47.4 mt-30 -62.97 -41.24 99.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 82' ' ' ILE . 76.0 mt -67.91 -46.39 82.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.421 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.566 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.6 pp -71.44 -21.2 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.182 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -84.16 -71.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t 47.38 87.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.266 0.626 . . . . 0.0 111.945 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.516 ' NE ' ' HA ' ' B' ' 90' ' ' ARG . 3.4 mmp_? -117.73 90.3 35.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.678 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -90.18 135.18 2.2 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.977 2.451 . . . . 0.0 112.366 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.83 171.82 7.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.141 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.02 149.85 20.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -135.23 143.15 46.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.817 0.341 . . . . 0.0 110.977 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 118.31 13.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.453 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.334 177.891 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 ttp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.604 0.24 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.5 -102.47 2.92 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.866 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -76.3 141.03 41.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.937 0.398 . . . . 0.0 111.388 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -109.32 -168.1 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.573 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.235 0.541 . . . . 0.0 111.573 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -87.43 -172.78 4.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.977 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -138.53 -161.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.5 t60 74.42 97.02 0.07 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.637 0.732 . . . . 0.0 112.198 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.76 172.06 13.56 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.66 ' HB2' ' OD2' ' A' ' 24' ' ' ASP . 66.1 m-70 -78.42 93.69 4.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.166 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.3 p -77.13 -26.58 53.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.754 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -90.65 113.9 26.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.13 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.77 -99.21 0.14 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.93 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' HG3' HG21 ' A' ' 25' ' ' THR . 38.9 mtt180 54.55 36.47 25.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.169 0.509 . . . . 0.0 111.682 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -74.66 -34.98 62.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.548 0.69 . . . . 0.0 109.225 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 22' ' ' MET . 1.3 p30 -99.75 127.31 45.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.937 173.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.9 -35.16 7.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -171.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' ' 22' ' ' MET . 3.8 t80 -135.26 173.12 12.07 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.984 -175.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CZ ' HG21 ' B' ' 30' ' ' VAL . 69.8 m-85 -76.12 62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.471 -173.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -129.06 -36.91 1.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.802 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.12 45.35 0.67 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.406 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.445 ' HA ' ' HB2' ' A' ' 16' ' ' ASN . 37.2 mtt -71.28 158.28 36.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.07 0.462 . . . . 0.0 111.224 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 m -145.0 -47.41 0.23 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.561 -171.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.66 ' OD2' ' HB2' ' A' ' 10' ' ' HIS . 4.1 t70 -151.48 -60.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.446 HG21 ' HG3' ' A' ' 14' ' ' ARG . 3.0 m -63.12 -14.31 47.05 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -170.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -56.62 -35.28 68.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.774 0.321 . . . . 0.0 111.588 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.77 70.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.425 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.67 -45.99 90.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.41 -31.19 24.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 26' ' ' ALA . 73.7 t -61.9 -48.26 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.87 -29.44 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.189 177.597 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.1 ttmt -59.65 -51.85 68.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.985 -177.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -72.32 -33.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.203 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -65.51 -37.96 88.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . . . -62.84 -47.87 81.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.421 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 34' ' ' ALA . 4.4 pp -72.6 -29.6 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 7.0 tp -67.97 -33.04 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.597 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 52.5 mtpt -74.54 -34.01 62.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.503 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -94.75 -40.23 9.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.891 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HA ' ' HD3' ' A' ' 57' ' ' LYS . . . -82.91 -9.11 59.46 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.617 0.246 . . . . 0.0 111.434 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.3 mt -128.27 87.5 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -142.05 148.52 38.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.529 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 23.8 pt -82.7 122.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.999 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HE22 ' A' ' 55' ' ' GLN . 21.0 m -90.02 112.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 170.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.57 ' HA ' ' HA ' ' A' ' 52' ' ' ALA . 4.4 m -88.27 131.14 34.9 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.205 0.526 . . . . 0.0 111.972 -171.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -78.41 144.63 35.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 166.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -62.04 -38.93 90.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.345 0.593 . . . . 0.0 110.347 -173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -136.84 102.47 4.89 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.768 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.69 -112.64 0.53 Allowed Glycine 0 C--N 1.314 -0.662 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.653 -175.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.11 139.63 8.04 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.399 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 44' ' ' ILE . . . -72.42 128.36 35.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.862 0.363 . . . . 0.0 110.391 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -104.86 118.76 37.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.41 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.658 ' HB2' HG22 ' A' ' 44' ' ' ILE . 7.6 t30 -96.22 118.97 33.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 0.0 110.341 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.794 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 1.7 mp0 -106.65 138.95 41.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.1 t -94.68 92.99 7.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 166.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 41' ' ' ALA . 28.0 mtpp -52.61 -42.67 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -166.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.461 HD22 HG23 ' A' ' 80' ' ' VAL . 6.8 mp -77.68 -16.27 58.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -175.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 74' ' ' HIS . 82.6 m -97.34 -27.76 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.883 0.373 . . . . 0.0 110.548 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.96 32.58 44.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.102 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.7 143.05 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.794 ' HB3' ' HG3' ' A' ' 55' ' ' GLN . 5.4 p -129.86 140.55 50.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.435 . . . . 0.0 110.926 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.91 140.06 16.75 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -50.02 142.91 25.97 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 122.844 2.363 . . . . 0.0 112.406 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.498 ' H ' ' HE3' ' A' ' 65' ' ' TRP . 2.0 p90 -57.28 -21.98 38.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.332 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.03 -38.91 89.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.973 -173.626 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.79 -102.12 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t 175.08 148.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.283 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.25 5.78 55.71 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -89.77 -47.57 7.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -90.8 -4.46 56.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.969 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.407 HG12 ' N ' ' A' ' 73' ' ' LYS . 12.2 tt -74.03 163.13 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.582 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' N ' HG12 ' A' ' 72' ' ' ILE . 34.4 ttpt -67.86 138.71 56.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.48 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 p-80 -142.04 -173.95 3.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 -173.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.26 105.66 17.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.591 ' HA ' HG21 ' A' ' 81' ' ' VAL . 14.2 m-20 -73.2 -6.85 48.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.342 0.591 . . . . 0.0 111.084 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.8 -30.29 65.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.833 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.2 p -73.04 146.43 87.32 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.419 . . . . 0.0 111.314 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HB2' HG22 ' B' ' 33' ' ' ILE . 35.1 Cg_endo -65.32 -11.18 29.0 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.022 2.481 . . . . 0.0 113.149 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG23 HD22 ' A' ' 58' ' ' LEU . 61.0 t -63.86 -39.4 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.267 0.555 . . . . 0.0 109.923 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 76' ' ' ASP . 38.6 t -70.45 -35.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.058 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.3 mm -59.74 -54.61 32.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.042 175.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.86 87.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.27 -45.53 90.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.968 0.414 . . . . 0.0 110.454 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' ILE . 73.0 mt -64.18 -52.9 50.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.575 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.38 -21.02 65.63 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.612 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.567 ' HB3' ' HG2' ' A' ' 90' ' ' ARG . 61.7 m -79.89 -34.0 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.745 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.1 m 58.76 36.49 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 111.292 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 16.7 ptm180 -139.67 156.48 71.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.586 -177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.24 173.56 14.28 Favored 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 122.597 2.198 . . . . 0.0 112.055 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.05 102.41 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.453 ' HB3' HH21 ' A' ' 90' ' ' ARG . 7.3 tt -125.03 130.14 51.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.893 -177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -141.23 132.67 26.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.948 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.19 132.69 34.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.598 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.82 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.557 0.218 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.37 -31.59 2.91 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.862 173.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m 73.65 -69.25 0.19 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.34 0.656 . . . . 0.0 110.686 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' B' ' 5' ' ' HIS . 50.7 m 62.1 -169.87 0.17 Allowed 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.245 0.341 . . . . 0.0 111.591 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' B' ' 4' ' ' SER . 19.1 m80 73.3 123.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.173 0.589 . . . . 0.0 111.743 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -89.77 159.0 17.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.8 176.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -110.9 109.9 20.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.9 0.381 . . . . 0.0 110.948 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -119.18 122.92 43.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -123.91 140.51 52.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.429 0.633 . . . . 0.0 112.163 -171.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -123.06 131.18 53.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.14 172.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -146.15 104.79 3.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 111.274 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -132.13 114.46 14.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.565 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.46 166.27 54.65 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.597 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -107.78 6.22 27.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.47 81.76 0.14 Allowed 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.735 0.647 . . . . 0.0 109.767 -173.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.12 146.42 37.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.09 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.74 121.49 19.94 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.486 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.419 ' HD1' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -80.4 167.58 20.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.985 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -73.8 2.44 8.38 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -98.41 102.78 14.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.062 0.458 . . . . 0.0 110.266 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . 102.88 -75.44 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.081 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' B' ' 21' ' ' GLY . 19.1 mmt 67.39 109.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.368 0.604 . . . . 0.0 111.139 -175.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.9 p -84.18 45.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -173.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t70 72.58 -54.03 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 173.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -57.92 -20.04 34.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.427 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.198 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.39 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.245 0.545 . . . . 0.0 110.222 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 20.8 mm-40 -67.91 -28.61 67.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.304 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.01 -44.6 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 110.835 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.463 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 84.6 t -66.34 -30.78 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 110.643 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.45 -32.5 74.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.314 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 64.4 mttp -73.56 -43.05 60.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.263 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.488 HG22 ' HB2' ' A' ' 79' ' ' PRO . 37.5 pt -65.43 -32.82 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 83' ' ' ALA . . . -69.3 -38.77 78.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.441 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.6 m -67.31 -29.27 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 58' ' ' LEU . . . -54.42 -37.82 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.407 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.721 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 3.8 pp -73.69 -24.62 59.97 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.968 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.43 -26.95 52.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.111 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.444 ' HB3' ' HE3' ' B' ' 39' ' ' LYS . 27.8 mmmt -68.2 -55.32 12.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.087 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 8.3 t -175.25 83.02 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.397 1.094 . . . . 0.0 111.036 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.721 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -113.29 -37.82 4.59 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.15 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HE2' ' A' ' 57' ' ' LYS . 32.7 mt -71.1 136.57 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.866 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -117.42 148.03 42.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.44 . . . . 0.0 110.419 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -106.97 121.9 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.149 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.555 HG23 ' HB2' ' B' ' 53' ' ' HIS . 14.1 m -87.63 115.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -92.53 159.4 15.52 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.034 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.572 ' HG3' ' HA3' ' B' ' 51' ' ' GLY . 36.7 mt-10 -72.13 170.88 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.496 172.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -66.21 -38.78 88.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.83 -50.64 6.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.985 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.72 -81.87 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.572 ' HA3' ' HG3' ' B' ' 47' ' ' GLU . . . 54.19 -175.31 0.46 Allowed Glycine 0 N--CA 1.439 -1.14 0 CA-C-O 121.703 0.613 . . . . 0.0 114.516 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 51' ' ' GLY . . . 172.5 101.55 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.355 -1.423 . . . . 0.0 110.62 171.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.555 ' HB2' HG23 ' B' ' 45' ' ' VAL . 26.8 m-70 -113.03 110.51 20.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.007 0.432 . . . . 0.0 109.996 174.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.621 ' HB3' ' HD2' ' B' ' 64' ' ' PRO . 6.0 t30 -98.33 106.58 18.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.524 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -127.37 146.79 50.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' B' ' 61' ' ' ALA . 68.0 m -102.08 136.41 41.97 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.025 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -80.41 22.41 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.688 HD23 ' HD2' ' B' ' 79' ' ' PRO . 6.5 mp -104.26 -92.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.246 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' B' ' 74' ' ' HIS . 8.1 p -91.66 4.0 53.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.329 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.65 40.5 6.75 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.861 -176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' B' ' 56' ' ' CYS . . . -64.19 145.31 56.19 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.43 ' HB3' HD13 ' B' ' 72' ' ' ILE . 12.7 t -100.26 -170.47 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 111.848 -166.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.737 HG12 ' H ' ' B' ' 65' ' ' TRP . 58.7 t -95.2 123.13 58.03 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.784 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' B' ' 54' ' ' ASN . 97.8 Cg_endo -89.46 5.35 4.81 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.898 2.398 . . . . 0.0 112.502 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.737 ' H ' HG12 ' B' ' 63' ' ' VAL . 14.5 t-105 -77.1 -171.41 2.01 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.01 -9.22 58.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -174.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.19 -168.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.0 110.661 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.7 m -71.57 93.44 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.449 0.642 . . . . 0.0 110.459 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.649 ' HA3' ' O ' ' B' ' 63' ' ' VAL . . . -148.76 110.05 0.47 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.247 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -146.77 -39.27 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.086 0.47 . . . . 0.0 110.856 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.71 77.94 9.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.792 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' B' ' 62' ' ' SER . 43.8 mm -73.91 98.45 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.453 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -82.89 105.82 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.274 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.572 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 14.4 p80 -128.92 119.05 23.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.228 0.537 . . . . 0.0 110.219 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.602 ' HB3' ' SG ' ' B' ' 78' ' ' CYS . . . -84.31 147.64 27.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.999 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -86.25 -4.32 59.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.564 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -94.3 -6.1 45.19 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.518 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' B' ' 75' ' ' ALA . 89.2 m -65.37 141.65 98.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.688 ' HD2' HD23 ' B' ' 58' ' ' LEU . 51.9 Cg_exo -57.11 -16.41 21.25 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.233 2.622 . . . . 0.0 113.273 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' B' ' 84' ' ' LYS . 89.9 t -64.67 -43.67 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.191 0.52 . . . . 0.0 109.905 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.98 -39.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.572 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.43 ' O ' HG13 ' B' ' 86' ' ' ILE . 50.1 mm -62.21 -47.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.412 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 34' ' ' ALA . . . -54.83 -44.94 74.34 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 80' ' ' VAL . 84.6 mttt -56.51 -50.21 72.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.559 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.81 -27.88 69.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.766 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 82' ' ' ILE . 80.8 mt -75.69 -46.64 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 111.093 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.3 -15.73 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.79 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 64.0 m -84.39 90.82 7.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 111.312 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.4 p -80.0 -14.91 58.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.496 0.665 . . . . 0.0 109.684 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 90' ' ' ARG . 13.0 ptt180 -103.98 100.08 19.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.243 173.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -86.54 119.3 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.573 2.182 . . . . 0.0 112.97 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -82.89 111.88 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.369 0.604 . . . . 0.0 110.2 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' B' ' 94' ' ' HIS . 61.0 tp -75.93 125.28 28.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.412 176.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' B' ' 93' ' ' LEU . 83.3 t60 75.01 134.07 0.05 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.171 0.919 . . . . 0.0 110.342 -176.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.66 107.18 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.555 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.759 175.406 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.88 25.26 3.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.261 -0.971 . . . . 0.0 113.473 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -83.3 88.51 6.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.584 0.707 . . . . 0.0 109.839 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.8 p -84.96 104.08 14.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.241 -175.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -97.05 88.42 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 174.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.02 117.34 7.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -125.31 125.01 42.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.217 -172.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -121.05 87.08 2.69 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 128.78 14.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.418 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -86.02 109.24 18.66 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 m -56.33 130.08 43.12 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.445 0.466 . . . . 0.0 111.527 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -81.38 -166.47 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.104 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.18 151.51 6.12 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.186 -1.007 . . . . 0.0 112.104 176.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 21.7 ptt180 179.0 -171.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HG3' ' HG3' ' A' ' 14' ' ' ARG . 40.7 mt-10 67.64 -168.75 0.19 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -175.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -166.39 105.07 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.512 0.672 . . . . 0.0 111.862 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD12 HG22 ' A' ' 23' ' ' THR . 42.1 mt -112.7 119.91 39.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -70.68 167.78 17.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.878 -172.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 20' ' ' GLN . 65.7 m-85 -55.18 150.93 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.138 -173.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' B' ' 22' ' ' MET . 29.9 tt0 79.16 -35.55 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.968 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.82 48.41 0.94 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -94.8 -178.77 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.838 0.351 . . . . 0.0 110.973 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.486 HG22 HD12 ' A' ' 17' ' ' LEU . 15.1 t -157.2 -165.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.979 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.64 -58.31 8.03 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.164 0.586 . . . . 0.0 112.456 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 m -62.13 -36.48 81.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.53 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.84 65.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 111.723 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.03 73.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 7.5 tp10 -75.24 -37.33 61.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.934 -174.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 7.1 m-20 -72.17 -36.43 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.22 -39.41 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 0.0 109.585 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.93 ' HG3' ' HA ' ' A' ' 87' ' ' LEU . 58.6 ttt180 -61.38 -38.01 85.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.289 174.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 35.5 ttmt -58.43 -43.9 88.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.845 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.489 ' HA ' ' HB3' ' B' ' 79' ' ' PRO . 58.4 mt -61.15 -46.66 96.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.446 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -31.95 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.466 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -72.32 -34.58 68.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.34 68.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 40.8 mt -62.59 -29.48 70.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.7 -176.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.74 -31.59 69.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 39' ' ' LYS . 26.3 mtpp -92.43 -57.14 2.78 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.003 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 m -116.29 41.11 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.139 0.495 . . . . 0.0 111.659 -169.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -141.78 21.26 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.044 0.45 . . . . 0.0 110.278 172.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.9 109.44 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' CD ' ' HZ3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -108.81 161.71 14.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.699 0.761 . . . . 0.0 112.26 -172.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -119.76 126.1 74.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.803 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.71 129.23 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.245 0.545 . . . . 0.0 110.33 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -88.03 137.71 32.09 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.182 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' OE1' ' HA3' ' A' ' 51' ' ' GLY . 46.3 mt-10 -83.93 142.64 30.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.834 0.35 . . . . 0.0 110.749 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.58 -42.12 98.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.091 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.54 -49.69 38.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.299 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.4 100.64 0.17 Allowed Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.523 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' HA3' ' OE1' ' A' ' 47' ' ' GLU . . . -177.87 160.91 27.66 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.755 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.18 105.21 5.92 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 120.851 0.358 . . . . 0.0 110.284 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -112.97 118.15 34.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.525 HD22 ' HB ' ' A' ' 63' ' ' VAL . 6.4 t30 -81.4 105.94 12.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 175.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -123.65 133.96 53.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.27 0.557 . . . . 0.0 112.004 -166.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.78 ' SG ' ' HB3' ' A' ' 59' ' ' CYS . 4.9 p -81.84 113.23 19.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.991 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HZ3' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -61.58 -14.5 30.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.841 -176.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -140.21 91.44 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 110.268 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.78 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . 44.9 t 168.4 -38.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.59 24.45 39.13 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.612 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.54 147.55 45.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.728 0.299 . . . . 0.0 111.294 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -107.57 127.55 53.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.238 0.542 . . . . 0.0 110.474 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' A' ' 54' ' ' ASN . 65.0 t -101.25 140.94 21.68 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.398 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.51 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 9.3 Cg_endo -53.37 135.18 59.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.581 2.187 . . . . 0.0 112.101 175.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.447 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 25.4 t-105 -62.73 144.09 56.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.665 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' TRP . 95.3 mt 75.82 30.18 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 124.094 0.871 . . . . 0.0 110.888 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -111.3 165.58 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.657 173.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.1 m -61.94 -38.03 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.757 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.1 -81.55 0.36 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.87 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.76 98.09 4.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 110.363 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.17 27.1 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.141 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.3 tt -144.94 165.87 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.973 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.71 153.74 35.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.744 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 92.5 m-70 -127.09 177.74 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 78' ' ' CYS . . . -87.47 172.91 9.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.234 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.7 -33.04 71.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.795 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.96 16.09 12.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.62 0.724 . . . . 0.0 109.338 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 50.2 t -54.48 115.01 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.921 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.577 ' HG2' HD22 ' A' ' 58' ' ' LEU . 54.0 Cg_exo -54.69 -28.28 55.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.246 2.631 . . . . 0.0 112.462 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 61.1 t -59.33 -34.76 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 176.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.6 t -73.11 -38.43 55.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.117 0.484 . . . . 0.0 110.063 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' B' ' 29' ' ' ASP . 48.3 mm -65.96 -41.81 90.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.024 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 87' ' ' LEU . . . -57.46 -42.64 82.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.235 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 88' ' ' SER . 68.4 mttm -58.31 -37.29 74.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.426 . . . . 0.0 110.98 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -71.03 -38.98 72.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.952 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.4 mt -71.62 -40.34 70.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.632 -178.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.93 ' HA ' ' HG3' ' A' ' 31' ' ' ARG . 4.5 pp -80.98 -1.11 42.45 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.074 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.5 ' HB2' ' O ' ' A' ' 84' ' ' LYS . 1.6 t -92.16 176.39 6.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.215 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 p 177.33 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -94.31 125.05 53.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.323 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.894 ' HA ' ' HG3' ' B' ' 15' ' ' GLU . 84.3 Cg_exo -45.71 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.318 2.679 . . . . 0.0 113.452 -176.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -96.56 20.38 10.81 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.351 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 64.88 -171.93 0.18 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.213 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.6 m80 71.0 -92.02 0.03 OUTLIER 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.876 0.87 . . . . 0.0 110.598 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 57.15 33.62 23.6 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.406 0.441 . . . . 0.0 111.426 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.248 0.992 0 CA-C-O 117.626 -1.178 . . . . 0.0 109.744 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tmm? . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.65 161.77 36.39 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.19 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -97.84 138.39 35.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -114.09 -173.87 2.36 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.488 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -146.35 110.44 5.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -80.83 85.88 6.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.599 . . . . 0.0 111.644 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -115.24 139.47 49.93 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 174.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -161.62 136.18 7.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 111.334 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -81.73 -179.43 7.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.963 171.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -88.1 141.95 28.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 m -90.85 67.97 6.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.025 0.44 . . . . 0.0 110.944 -174.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -75.38 104.03 5.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.564 . . . . 0.0 110.396 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.22 164.5 24.81 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -117.5 124.0 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.894 ' HG3' ' HA ' ' A' ' 91' ' ' PRO . 40.6 mm-40 -86.24 94.49 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.708 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -167.49 -177.75 3.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.015 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.17 64.25 4.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -77.29 -5.18 48.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.026 -174.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -74.16 -21.88 59.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.729 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.84 -47.94 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 109.838 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.29 54.23 3.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.424 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 51.8 tpp -109.6 143.63 39.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.578 0.227 . . . . 0.0 110.536 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -148.31 107.86 3.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.093 0.473 . . . . 0.0 109.931 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.21 -167.98 0.17 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.656 -175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.599 ' HA ' ' OE2' ' B' ' 28' ' ' GLU . 51.2 m 72.7 -41.94 0.52 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -57.32 -46.84 82.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.599 ' OE2' ' HA ' ' B' ' 25' ' ' THR . 41.1 mt-10 -57.72 -49.9 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.255 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.807 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 7.4 m-20 -88.71 -25.1 22.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 26' ' ' ALA . 43.0 t -60.4 -38.36 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 109.961 175.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -61.93 -28.74 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.741 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.807 ' HD3' ' HA ' ' B' ' 29' ' ' ASP . 2.9 mptm? -56.18 -55.72 29.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.805 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 pt -74.17 -34.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.74 ' HB1' HD23 ' B' ' 87' ' ' LEU . . . -63.44 -39.95 95.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.263 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' B' ' 39' ' ' LYS . 27.0 m -74.25 -36.07 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 0.0 110.412 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.8 72.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.599 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.841 ' HA ' ' HB2' ' B' ' 41' ' ' ALA . 4.1 pp -70.52 -24.29 62.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.305 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.559 ' HG ' ' HE2' ' B' ' 84' ' ' LYS . 7.9 tt -77.24 -36.19 54.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.197 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 35' ' ' THR . 48.6 mtpt -85.13 -44.68 12.76 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.242 -175.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.536 ' HB ' ' HG2' ' A' ' 57' ' ' LYS . 4.2 m -158.86 90.67 1.0 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.074 0.464 . . . . 0.0 109.988 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HB2' ' HA ' ' B' ' 37' ' ' LEU . . . -123.67 -28.25 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.868 HD13 HD21 ' B' ' 54' ' ' ASN . 1.2 pp -104.69 175.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.94 147.0 32.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.605 0.717 . . . . 0.0 111.658 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 1.145 HD11 ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -112.13 120.41 62.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.876 172.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.58 122.16 52.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.174 0.511 . . . . 0.0 110.262 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' B' ' 52' ' ' ALA . 11.4 p -80.57 153.23 28.17 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.216 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -72.15 178.07 4.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -50.12 -51.0 46.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.281 0.562 . . . . 0.0 109.53 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -171.63 107.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.951 168.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.96 -80.49 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.026 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.45 -161.23 12.43 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.702 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 1.145 ' HB1' HD11 ' B' ' 44' ' ' ILE . . . -145.38 153.35 41.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.311 -0.444 . . . . 0.0 110.389 -176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -133.21 110.99 10.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.756 0.312 . . . . 0.0 110.421 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.868 HD21 HD13 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -103.54 115.22 30.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -178.663 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -110.04 158.23 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.824 ' HA ' HG21 ' B' ' 42' ' ' ILE . 78.5 m -122.18 103.96 9.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.2 62.21 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.677 -174.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tp -162.72 -64.38 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.991 0.424 . . . . 0.0 110.608 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.06 13.26 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.254 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.15 56.33 25.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.328 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.31 150.27 38.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -143.43 153.69 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' B' ' 54' ' ' ASN . 14.2 p -133.07 139.28 33.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' B' ' 63' ' ' VAL . 39.8 Cg_endo -68.0 0.03 4.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.93 2.42 . . . . 0.0 113.436 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' B' ' 66' ' ' LEU . 30.4 t-105 70.4 149.72 0.08 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.726 0.641 . . . . 0.0 110.752 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' B' ' 65' ' ' TRP . 53.1 tp 78.11 -47.42 0.46 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.365 0.666 . . . . 0.0 111.639 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -43.68 94.87 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 109.935 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -163.2 159.77 23.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.966 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.79 11.07 12.13 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' B' ' 71' ' ' GLU . 30.6 t70 -138.19 -143.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.494 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 5.6 pt-20 55.08 16.09 1.44 Allowed 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.611 1.164 . . . . 0.0 111.383 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.12 83.86 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -138.27 31.25 2.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.024 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -74.63 -2.31 25.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.031 -174.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.5 147.99 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -107.97 -21.57 12.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.764 0.316 . . . . 0.0 111.257 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -91.36 -6.33 53.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.006 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 79' ' ' PRO . 80.8 m -77.24 132.62 69.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.971 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . 84.6 Cg_exo -47.88 -44.32 27.47 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.805 3.003 . . . . 0.0 113.947 -175.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.652 HG13 HD13 ' B' ' 37' ' ' LEU . 78.1 t -58.4 -43.83 87.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.939 0.4 . . . . 0.0 110.851 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.475 HG12 HE22 ' B' ' 85' ' ' GLN . 4.6 t -74.22 -35.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.395 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.8 mm -52.81 -45.98 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.07 0.462 . . . . 0.0 110.096 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 -36.27 74.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.826 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . 0.559 ' HE2' ' HG ' ' B' ' 38' ' ' LEU . 90.9 mttt -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.475 HE22 HG12 ' B' ' 81' ' ' VAL . 1.1 mp0 -59.42 -37.11 77.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 74.5 mt -70.85 -46.91 66.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.55 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.74 HD23 ' HB1' ' B' ' 34' ' ' ALA . 4.5 pp -72.51 -14.13 61.58 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 67.5 m -79.21 55.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 111.345 -178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -76.26 112.9 13.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.631 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' B' ' 91' ' ' PRO . 20.8 ptt85 -84.51 143.02 40.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.189 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 90' ' ' ARG . 35.9 Cg_exo -61.61 147.3 95.69 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.082 2.521 . . . . 0.0 112.981 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -76.85 135.43 38.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.647 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.891 ' H ' HD13 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -92.5 155.22 17.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.887 -178.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -99.65 106.17 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.927 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.4 118.3 26.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.244 0.814 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.1 178.445 . . . . . . . . 0 0 . 1 stop_ save_