data_3zgk_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 3zgk _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.412 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.571 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -55.35 -31.78 62.01 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.416 172.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 77' ' ' LYS . . . -79.1 -20.03 49.72 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.302 -0.249 . . . . 0.0 110.777 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.02 17.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.1 t -56.82 -44.11 81.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.45 175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.61 -25.31 64.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 48.5 mmtm -75.6 -42.79 50.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.3 mtt -62.34 -48.3 80.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HA ' HG23 ' A' ' 121' ' ' VAL . . . -55.01 -52.89 61.74 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.608 -177.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.428 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -65.94 -22.38 66.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' C ' ' HZ2' ' A' ' 88' ' ' LYS . . . -83.82 -41.52 17.44 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.891 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.77 -37.71 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 80' ' ' LYS . 25.4 ptm -69.84 -13.54 62.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -95.95 -61.8 1.39 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.517 ' CG ' ' HZ3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -116.16 132.42 23.27 Favored Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.326 -179.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -94.67 10.05 1.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.755 2.304 . . . . 0.0 111.86 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -77.7 -51.99 9.69 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.328 0.585 . . . . 0.0 110.125 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.517 ' HZ3' ' CG ' ' A' ' 85' ' ' ASP . 0.9 OUTLIER -87.24 -7.08 58.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.482 0.658 . . . . 0.0 110.544 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.87 -44.7 74.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.596 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 38.4 t70 -65.19 -35.01 79.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -175.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 18.8 t70 -60.26 -38.36 83.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.728 176.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.6 t -75.53 -28.16 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.644 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 22.1 m-30 -63.54 -45.48 90.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.614 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -67.73 -36.87 81.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.661 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 91' ' ' ASP . 42.7 mmtm -56.39 -31.64 64.05 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 123.645 0.591 . . . . 0.0 111.521 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.494 ' CH2' HD11 ' A' ' 106' ' ' LEU . 4.6 m95 -68.54 -37.46 79.99 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.64 -32.78 41.68 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 121.637 0.732 . . . . 0.0 109.029 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.531 ' CG ' ' HZ2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -70.18 -22.92 62.9 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.077 1.351 . . . . 0.0 111.948 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HZ2' ' CG ' ' A' ' 98' ' ' ASP . 20.0 mmtm -106.04 4.66 29.52 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.95 -6.24 81.84 Favored Glycine 0 C--N 1.311 -0.832 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.833 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.415 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 85.4 m-85 -61.1 134.65 57.27 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.989 0.395 . . . . 0.0 110.176 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.5 m -127.43 89.44 2.96 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.9 tp 31.8 -79.68 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.127 2.571 . . . . 0.0 116.905 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -59.16 -22.44 60.94 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.427 0.691 . . . . 0.0 111.652 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.442 ' HG2' ' CE2' ' A' ' 109' ' ' PHE . 62.0 tt0 -62.18 -23.34 66.55 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.505 1.122 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.494 HD11 ' CH2' ' A' ' 96' ' ' TRP . 64.4 tp -62.56 -22.9 66.69 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.38 0.672 . . . . 0.0 110.646 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 111' ' ' LYS . 19.1 m -65.44 -28.02 68.94 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.453 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.59 -36.3 24.03 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.263 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.442 ' CE2' ' HG2' ' A' ' 105' ' ' GLN . 21.3 m-85 -69.38 -44.62 71.13 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.889 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 118' ' ' TYR . 70.3 mt -99.52 -22.49 15.46 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 107' ' ' SER . 12.3 mptt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 122.374 1.083 . . . . 0.0 110.102 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.656 ' HD1' ' CD2' ' A' ' 118' ' ' TYR . 36.9 m-85 . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -53.44 -63.18 1.23 Allowed 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.024 0.929 . . . . 0.0 113.282 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -55.02 -41.32 71.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.959 0.903 . . . . 0.0 112.268 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.508 HG23 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -74.67 -38.32 44.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.807 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -62.73 -48.36 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -40.68 94.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.684 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.17 -42.71 97.29 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.961 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -71.86 -22.93 61.45 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.41 -39.97 85.15 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.749 -0.595 . . . . 0.0 109.625 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.471 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 11.3 m -68.01 -18.53 64.74 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 114.526 -1.215 . . . . 0.0 113.331 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.525 ' CB ' ' HB3' ' A' ' 93' ' ' TYR . 2.9 p90 -69.27 -25.69 64.39 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 117.77 -1.572 . . . . 0.0 111.151 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.551 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -76.45 -9.44 58.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 9.7 m-20 -83.78 -15.41 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -109.76 -37.63 5.6 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.551 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 5.2 m . . . . . 0 C--N 1.325 -0.481 0 C-N-CA 123.73 0.812 . . . . 0.0 110.417 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.525 ' OE1' ' HA ' ' A' ' 71' ' ' GLU 0.347 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 . . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -68.42 -27.09 65.89 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.713 174.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.718 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -74.33 -34.62 63.48 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.53 85.91 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 120.998 0.427 . . . . 0.0 109.859 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 71' ' ' GLU . 55.6 t -60.93 -43.52 96.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.503 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.475 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 57.1 mtpt -70.98 -22.39 62.19 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.718 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 64.0 mttp -61.81 -46.52 89.14 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.4 mtp -76.01 -37.58 58.27 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.251 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.64 92.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.073 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -33.85 72.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.558 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.62 -27.3 62.07 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.357 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.0 mt -76.62 -35.33 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.583 0.706 . . . . 0.0 109.442 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.44 -32.67 73.57 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.766 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.12 -37.1 16.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.489 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.55 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 1.6 t70 -136.19 116.02 11.11 Favored Pre-proline 0 N--CA 1.441 -0.883 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.484 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -91.12 3.66 4.38 Favored 'Trans proline' 0 N--CA 1.444 -1.433 0 C-N-CA 122.753 2.302 . . . . 0.0 113.677 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -69.24 -47.66 64.1 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.017 0.437 . . . . 0.0 111.019 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.55 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.66 -3.57 59.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.492 0.663 . . . . 0.0 111.926 -177.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.71 -47.88 15.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.726 -1.124 . . . . 0.0 113.353 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.68 -40.91 92.86 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.564 0.221 . . . . 0.0 111.458 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.58 -41.03 69.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.453 0.701 . . . . 0.0 109.478 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.31 -34.71 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.856 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HD1' ' A' ' 125' ' ' TYR . 18.6 m-30 -63.71 -44.85 92.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -40.6 94.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.727 176.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.2 tmtm? -69.6 -34.09 73.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.921 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.434 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.8 m0 -72.3 -31.39 65.66 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 122.152 -0.342 . . . . 0.0 111.352 176.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.81 83.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.582 ' CG ' ' HZ2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -57.34 -25.11 58.89 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.524 1.13 . . . . 0.0 111.514 173.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HZ2' ' CG ' ' A' ' 98' ' ' ASP . 12.8 mmtm -105.72 3.07 28.55 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.68 16.11 80.85 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.286 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 1.629 ' HD1' ' CD2' ' A' ' 101' ' ' TYR . 66.4 m-85 -64.81 131.0 45.58 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.062 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.515 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 20.8 p -114.39 143.82 44.29 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.162 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -47.83 -40.91 22.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.265 1.026 . . . . 0.0 112.264 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -63.94 -37.4 87.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.983 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -84.75 -32.46 23.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 3.2 tm? -58.18 -35.44 71.6 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.023 0.929 . . . . 0.0 109.326 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.9 m -57.87 -35.8 71.47 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.26 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.74 -36.73 23.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.475 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 61.6 m-85 -58.08 -49.18 77.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.539 0.685 . . . . 0.0 110.687 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.37 -34.21 36.64 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.683 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -176.737 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.27 -48.11 12.91 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 126.312 1.845 . . . . 0.0 110.545 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -59.81 -56.41 22.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.942 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.14 -36.63 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.969 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.646 ' HD2' ' CD1' ' A' ' 122' ' ' TYR . 77.1 t80 -71.84 -53.51 13.04 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -176.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -36.39 80.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.26 76.62 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.435 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.486 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 50.2 t80 -59.2 -35.59 73.85 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.369 0.668 . . . . 0.0 112.158 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -49.31 -36.47 21.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.36 0.664 . . . . 0.0 112.051 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -58.81 -19.65 43.09 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.237 1.015 . . . . 0.0 112.025 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 1.602 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -69.87 -13.58 62.33 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.737 -0.602 . . . . 0.0 110.481 -178.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmm180 -65.29 -23.64 67.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.43 20.37 19.01 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.978 0.894 . . . . 0.0 108.657 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -122.89 -39.03 2.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.614 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 63.0 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.264 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' OE2' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 111.589 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' HG2' ' OE2' ' A' ' 71' ' ' GLU . 2.0 ptpp? -59.81 -36.12 76.12 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.162 0.506 . . . . 0.0 111.252 174.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.34 -18.9 61.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.913 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.11 -53.33 5.34 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.49 -36.78 66.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.996 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 66.7 mttm -56.0 -31.01 62.68 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -41.17 79.35 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.3 -42.62 75.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' HA ' HG23 ' A' ' 121' ' ' VAL . . . -60.19 -52.13 66.61 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.656 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HZ2' ' HB2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -68.22 -21.28 64.85 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 120.88 0.371 . . . . 0.0 111.88 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.19 65.18 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.925 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.29 -35.58 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.703 0.763 . . . . 0.0 109.407 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.21 -29.2 63.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.468 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.46 -54.85 3.11 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.52 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.7 t70 -110.73 126.8 28.06 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.922 -175.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -93.1 -7.83 2.48 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 122.581 2.187 . . . . 0.0 113.465 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -66.48 -42.9 86.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 121.153 0.501 . . . . 0.0 111.99 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.52 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -87.68 -4.91 58.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.23 -50.26 39.3 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.08 -46.72 45.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.565 0.746 . . . . 0.0 112.147 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.17 -42.81 99.63 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.626 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.17 -35.87 65.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.733 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.76 -52.87 62.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.27 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -66.75 -31.87 72.79 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.179 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.423 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 3.3 ttmp? -72.74 -43.11 63.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.926 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -61.93 -35.45 78.46 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.652 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.93 82.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.392 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.54 -30.02 61.59 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.238 0.542 . . . . 0.0 110.553 -178.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -82.99 0.04 46.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.717 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.47 14.45 78.37 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.914 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.01 114.09 17.67 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.396 1.093 . . . . 0.0 110.952 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.506 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.6 p -94.18 156.24 16.65 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.83 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.9 tp -48.94 -41.73 34.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.803 0.841 . . . . 0.0 111.675 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.7 t -66.19 -31.77 72.8 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.794 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.39 -38.15 42.38 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.66 -31.64 69.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.557 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.7 m -59.15 -33.85 71.39 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.576 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.487 ' HA ' ' HZ1' ' A' ' 111' ' ' LYS . 30.6 t70 -70.72 -45.82 64.19 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.783 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.662 ' HE1' ' CE2' ' A' ' 109' ' ' PHE . 16.9 m-85 -65.21 -34.67 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.284 0.99 . . . . 0.0 110.844 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.65 -42.13 18.56 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.755 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 111' ' ' LYS . 3.3 ttpm? . . . . . 0 N--CA 1.484 1.244 0 C-N-CA 124.062 0.945 . . . . 0.0 111.872 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -50.24 -63.13 1.21 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.16 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -85.14 -48.26 16.48 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.243 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.265 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.653 ' HD2' ' CD1' ' A' ' 122' ' ' TYR . 81.4 t80 -79.84 -54.65 5.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -64.56 -36.69 85.02 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 123.658 0.783 . . . . 0.0 109.935 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.79 -38.95 86.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.983 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.41 -26.81 64.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 122.672 -0.311 . . . . 0.0 111.002 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 48.6 ttm -51.77 -36.45 47.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.82 0.848 . . . . 0.0 112.059 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.6 m -60.16 -18.07 45.28 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 124.244 1.018 . . . . 0.0 112.826 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.506 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -67.32 -16.7 64.41 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 120.713 -1.242 . . . . 0.0 110.613 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -75.41 -12.33 60.23 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.279 0.631 . . . . 0.0 112.042 -178.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.02 -6.96 58.95 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -118.92 -36.34 3.45 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.65 -178.708 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.531 ' O ' HG21 ' A' ' 75' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.189 -2.086 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 13.7 ptpt -55.31 -33.36 63.23 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.42 -23.19 53.98 Favored 'General case' 0 C--O 1.263 1.787 0 CA-C-O 121.583 0.706 . . . . 0.0 110.518 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -34.41 22.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.782 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 71' ' ' GLU . 89.5 t -54.98 -55.49 15.77 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.588 0 O-C-N 123.753 0.658 . . . . 0.0 110.033 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.44 -27.98 67.93 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.534 ' HB2' ' HZ2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -73.65 -44.62 56.31 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -79.9 -25.84 40.43 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.181 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HA ' HG23 ' A' ' 121' ' ' VAL . . . -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.295 0.638 . . . . 0.0 109.949 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -37.32 85.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.591 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.16 68.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.468 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.22 -38.81 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-O 120.966 0.412 . . . . 0.0 111.225 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.0 ttp -65.47 -25.42 67.49 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 111.666 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.21 -38.83 16.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.511 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -149.28 122.29 4.45 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.259 0.623 . . . . 0.0 110.729 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.23 12.17 2.36 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.769 2.313 . . . . 0.0 114.009 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -69.44 -32.84 72.04 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.721 -0.612 . . . . 0.0 111.685 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.38 -7.05 57.29 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 121.865 -0.522 . . . . 0.0 111.342 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 93' ' ' TYR . . . -47.73 -59.51 3.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -46.97 -49.75 20.18 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.04 -35.3 71.92 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.782 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.407 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 57.9 t -67.07 -33.63 64.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.653 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 17.1 m-30 -67.9 -42.25 81.44 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -45.7 86.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.745 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.99 -17.57 63.29 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.851 -179.313 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.402 ' NE1' HG23 ' A' ' 75' ' ' VAL . 12.3 m0 -81.59 -27.52 34.23 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.493 0.187 . . . . 0.0 111.054 174.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.64 92.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.7 -33.19 66.21 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.8 1.24 . . . . 0.0 111.276 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 44.9 mmtm -82.25 -3.63 55.55 Favored 'General case' 0 C--O 1.255 1.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.935 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.34 35.94 18.89 Favored Glycine 0 N--CA 1.432 -1.606 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.913 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -104.76 117.05 33.11 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.612 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.537 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.7 m -109.31 89.41 2.99 Favored 'General case' 0 N--CA 1.424 -1.754 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.695 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.6 tp 57.13 -78.23 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -63.39 -24.92 68.05 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 124.573 1.149 . . . . 0.0 113.243 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -63.22 -21.23 66.09 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.674 0.789 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 125' ' ' TYR . 18.0 tp -64.12 -18.59 64.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.974 0.416 . . . . 0.0 110.573 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.2 m -63.14 -33.25 75.06 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.141 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.32 -39.32 33.1 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.464 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.65 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 16.8 m-85 -67.08 -46.5 74.07 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.168 -177.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.68 -32.75 31.62 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.025 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 108.279 -179.506 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.619 ' HD2' ' CD1' ' A' ' 118' ' ' TYR . 99.3 m-85 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 120.697 0.284 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -36.99 -63.5 0.42 Allowed 'General case' 0 C--O 1.247 0.931 0 C-N-CA 126.63 1.972 . . . . 0.0 114.439 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -65.09 -41.2 95.21 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -75.28 -36.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.032 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.631 ' HD1' ' CD2' ' A' ' 122' ' ' TYR . 76.6 t80 -65.81 -57.83 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.085 0.469 . . . . 0.0 110.694 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.92 -23.46 61.47 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.872 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.33 -33.93 68.7 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 1.621 ' HD1' ' CD2' ' A' ' 125' ' ' TYR . 57.4 t80 -63.92 -32.15 73.58 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.632 0.773 . . . . 0.0 110.832 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -48.98 -39.06 25.09 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 0.0 112.412 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -55.19 -20.17 9.82 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.966 1.307 . . . . 0.0 113.151 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 1.1 p90 -74.5 -14.07 60.77 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.185 -0.947 . . . . 0.0 110.503 -177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -64.59 -20.21 66.12 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.77 2.85 56.53 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 123.616 0.573 . . . . 0.0 111.472 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 26.6 m-85 -107.16 -38.69 5.92 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.282 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -178.393 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -66.0 -27.84 68.43 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.255 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 -19.41 24.1 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.687 0.756 . . . . 0.0 110.031 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.35 -46.1 18.31 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.552 0.741 . . . . 0.0 110.55 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.28 -34.2 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.524 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 62.6 mttp -61.03 -27.49 68.37 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.831 0.348 . . . . 0.0 111.398 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -65.67 -43.62 88.76 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.767 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -80.74 -32.5 35.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 121' ' ' VAL . . . -53.44 -59.29 4.77 Favored 'General case' 0 C--O 1.205 -1.281 0 O-C-N 123.772 0.67 . . . . 0.0 110.196 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -63.5 -22.29 66.81 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.439 0.638 . . . . 0.0 111.988 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.04 44.3 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 120.981 0.42 . . . . 0.0 110.161 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 76.8 mt -83.23 -31.23 8.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 11.8 ttt -44.69 -42.29 7.45 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.997 1.319 . . . . 0.0 110.761 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.27 -61.5 1.64 Allowed 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.113 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.488 ' OD2' ' HB3' ' A' ' 88' ' ' LYS . 6.6 t70 -99.0 118.09 63.28 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.72 -0.7 4.45 Favored 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.877 2.385 . . . . 0.0 112.993 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -75.29 -50.19 16.85 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.553 ' HZ3' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -70.28 -6.04 32.1 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.844 0.83 . . . . 0.0 112.488 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.06 -36.12 70.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.926 -176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.32 -50.54 72.6 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 122.811 0.444 . . . . 0.0 111.8 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.35 -50.58 64.73 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.2 0.6 . . . . 0.0 111.397 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.92 -33.33 60.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.639 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.669 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 3.0 m-85 -64.24 -37.04 86.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.086 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.668 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -73.78 -40.86 63.13 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.997 177.12 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 8.8 tmtt? -60.07 -33.6 72.29 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.915 0.76 . . . . 0.0 109.442 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 101' ' ' TYR . 12.1 m0 -68.39 -47.9 66.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.739 -0.785 . . . . 0.0 111.961 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.05 76.94 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.013 0.435 . . . . 0.0 110.357 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.597 ' CG ' ' HZ2' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -51.81 -38.91 57.63 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.993 1.717 . . . . 0.0 113.152 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' TYR . 27.8 mmtm -106.67 2.7 26.06 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.01 70.38 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.308 -0.948 . . . . 0.0 112.684 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.629 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 96.6 m-85 -57.09 114.2 2.03 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.2 m -95.34 142.12 28.11 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.074 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -45.42 -38.23 5.84 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.93 1.292 . . . . 0.0 113.643 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.7 t -64.67 -30.51 71.53 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.2 -28.63 25.31 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.518 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 1.6 tm? -61.13 -39.65 90.82 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.7 t -64.0 -19.04 64.88 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.245 0.618 . . . . 0.0 111.949 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.86 -35.72 29.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.505 0.669 . . . . 0.0 109.287 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 6.8 m-85 -71.72 -48.02 49.99 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.169 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.58 34.34 1.86 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.033 0.933 . . . . 0.0 110.312 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.372 -178.109 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.647 ' HE2' ' CE1' ' A' ' 118' ' ' TYR . 82.8 m-85 . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -62.79 1.43 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.23 0.956 . . . . 0.0 111.828 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -47.67 -46.37 29.08 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.664 0.602 . . . . 0.0 111.355 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 79' ' ' ALA 0.345 12.7 t -66.16 -54.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.379 0.0 OUTLIER -85.03 -21.16 29.53 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 116.884 -1.927 . . . . 0.0 114.867 -177.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.14 76.7 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.28 50.05 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 1.669 ' HD2' ' CD1' ' A' ' 125' ' ' TYR . 48.9 t80 -60.89 -44.42 97.12 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.2 ptp -55.12 -22.79 18.05 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -59.6 -19.45 48.99 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.84 0.856 . . . . 0.0 111.226 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 1.655 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 0.6 OUTLIER -67.32 -15.31 63.61 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.634 -0.666 . . . . 0.0 110.551 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 6.2 mmm180 -66.69 -26.24 66.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.49 9.07 41.4 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.413 0.625 . . . . 0.0 109.928 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 1.608 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 80.8 t80 -120.75 -36.73 3.11 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.738 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.77 179.583 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' O ' HG21 ' A' ' 75' ' ' VAL . 36.6 mt-10 . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -53.31 -39.8 64.31 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.45 -18.87 59.76 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.154 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -33.89 22.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 71' ' ' GLU . 71.8 t -53.91 -37.8 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.279 0.632 . . . . 0.0 110.608 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 109' ' ' PHE . 35.8 mtmt -65.85 -17.95 65.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.61 -41.62 62.56 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.456 ' O ' HG12 ' A' ' 82' ' ' ILE . 97.0 mmm -77.68 -33.64 53.24 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.816 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.33 79.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -60.03 -38.68 83.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.158 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.59 -30.85 64.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.008 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 78' ' ' MET . 46.7 mm -72.38 -38.24 60.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.742 0.782 . . . . 0.0 108.901 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.4 ttm -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.383 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.53 -55.56 4.6 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.888 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.579 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.0 t70 -122.77 125.34 26.4 Favored Pre-proline 0 C--O 1.247 0.97 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.292 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -93.15 -1.92 3.46 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 122.843 2.362 . . . . 0.0 113.418 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -71.59 -45.52 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -86.72 -5.63 59.06 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.622 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 82' ' ' ILE . . . -54.75 -37.69 66.24 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.45 -49.0 68.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.381 0.426 . . . . 0.0 111.925 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -53.83 -47.4 70.96 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.477 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.0 t -71.44 -29.97 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.083 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.636 -174.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.664 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 20.4 m-30 -66.06 -39.85 90.42 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.351 0.595 . . . . 0.0 109.752 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -30.42 45.8 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.862 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 4.8 tmtm? -71.17 -21.72 62.13 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 27.1 m0 -82.49 -31.32 29.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.908 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.49 87.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.187 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 2.4 p30 -67.27 -30.37 70.23 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.078 0.466 . . . . 0.0 111.402 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -80.46 -5.34 56.44 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.663 0.744 . . . . 0.0 110.42 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.54 33.68 37.93 Favored Glycine 0 N--CA 1.408 -3.175 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.276 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.79 155.47 19.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.457 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 59.3 m -148.13 152.75 37.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.7 tp -45.07 -47.92 11.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.267 1.027 . . . . 0.0 113.083 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -65.68 -27.22 68.2 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 120.981 0.42 . . . . 0.0 112.007 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.584 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' A' ' 125' ' ' TYR . 16.0 tp -67.13 -29.5 69.24 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 111' ' ' LYS . 2.7 m -58.74 -29.35 66.67 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.188 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -85.78 -41.23 15.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.184 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 14.6 m-30 -63.53 -50.15 70.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.034 0.445 . . . . 0.0 111.698 -175.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 6.5 mp -79.69 -30.55 41.13 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 121.94 0.876 . . . . 0.0 108.893 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 107' ' ' SER . 4.5 tptp . . . . . 0 N--CA 1.428 -1.56 0 CA-C-N 112.321 -2.218 . . . . 0.0 111.611 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.218 -0.601 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -64.05 -30.13 71.22 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 118.975 0.807 . . . . 0.0 111.783 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -46.1 76.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.899 0.88 . . . . 0.0 109.473 174.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.9 -33.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.962 0.41 . . . . 0.0 111.201 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -59.89 -53.27 59.91 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.568 0.747 . . . . 0.0 110.494 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -62.42 -34.57 77.02 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.697 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.49 -37.93 86.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.688 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 1.613 ' HD2' ' CD1' ' A' ' 125' ' ' TYR . 77.7 t80 -69.26 -35.5 76.15 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.4 ttt -51.82 -37.49 52.01 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.498 0.719 . . . . 0.0 111.633 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.412 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 15.9 m -56.21 -18.84 11.43 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 124.765 1.226 . . . . 0.0 113.538 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.687 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -69.23 -18.44 63.88 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.642 -1.286 . . . . 0.0 111.232 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.633 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -71.54 -20.99 61.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.37 179.131 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 5.0 m-20 -84.02 -8.16 59.21 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.532 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.687 ' CE2' ' HA ' ' A' ' 128' ' ' TYR . 51.3 p90 -128.88 -37.2 1.74 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.505 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' HG21 ' A' ' 75' ' ' VAL . 49.2 mt-10 . . . . . 0 C--O 1.214 -0.767 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.503 ' HZ2' ' CG ' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -54.0 -29.93 45.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -173.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.33 -19.79 30.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.71 15.23 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.484 HG11 ' CZ2' ' A' ' 96' ' ' TRP . 78.1 t -54.38 -43.93 64.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.278 1.031 . . . . 0.0 112.229 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.81 -29.46 62.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -40.49 47.08 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.802 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.7 mmt -73.11 -26.18 61.14 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.495 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.99 82.3 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.63 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -69.35 -26.83 64.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.251 -0.98 . . . . 0.0 110.386 177.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.617 ' HA ' ' OD2' ' A' ' 85' ' ' ASP . . . -64.82 -24.32 67.51 Favored 'General case' 0 C--O 1.197 -1.678 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.851 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.48 -44.62 17.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.761 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.523 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 21.0 ptt? -82.71 -21.9 34.66 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -173.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.04 -40.95 6.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.773 0.321 . . . . 0.0 111.357 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.617 ' OD2' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -125.53 64.94 50.14 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.284 -176.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.92 1.58 2.24 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.946 3.097 . . . . 0.0 115.583 -168.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 t -69.46 -39.68 77.6 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.057 0.456 . . . . 0.0 109.782 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -88.67 -5.2 58.28 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.0 -41.4 11.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -50.12 -53.63 26.12 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -60.27 -25.98 66.12 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.874 0.369 . . . . 0.0 111.93 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.61 -43.35 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -61.46 -42.74 99.24 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 120.937 0.399 . . . . 0.0 110.53 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -23.67 59.44 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.457 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.438 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 12.8 tmtt? -78.51 -34.23 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.484 ' CZ2' HG11 ' A' ' 75' ' ' VAL . 38.9 m0 -75.5 -35.09 60.87 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.952 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.13 77.05 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.78 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.56 67.05 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -100.67 0.78 39.75 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.04 77.36 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.465 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -69.75 114.1 7.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.611 0.719 . . . . 0.0 109.53 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.505 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 18.0 p -100.63 166.33 10.95 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.648 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.21 -35.54 49.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.649 1.18 . . . . 0.0 112.967 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.7 t -74.72 -33.97 62.48 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.792 0.329 . . . . 0.0 111.435 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -83.1 -22.08 33.51 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.617 0.723 . . . . 0.0 109.133 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.424 HD12 ' CZ3' ' A' ' 96' ' ' TRP . 15.8 tp -64.92 -19.5 65.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.123 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 111' ' ' LYS . 41.1 t -69.28 -26.54 64.81 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.075 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.503 ' CG ' ' HZ2' ' A' ' 72' ' ' LYS . 31.1 t70 -84.91 -20.96 29.91 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.943 0.878 . . . . 0.0 110.054 177.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.643 ' HE2' ' CE1' ' A' ' 109' ' ' PHE . 18.0 m-85 -93.78 -50.12 5.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.91 -49.59 4.73 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 107' ' ' SER . 23.0 tptp . . . . . 0 C--N 1.286 -2.169 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.897 -165.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.642 ' HE1' ' CE2' ' A' ' 118' ' ' TYR . 96.0 m-85 . . . . . 0 C--O 1.215 -0.741 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.46 -57.36 4.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.282 1.433 . . . . 0.0 111.926 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -58.74 -42.06 87.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.967 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -79.87 -43.07 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.542 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.02 -60.88 2.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.187 0.595 . . . . 0.0 109.729 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.779 0.832 . . . . 0.0 110.811 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.12 72.41 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.567 ' O ' ' HD2' ' A' ' 128' ' ' TYR . 16.4 m-85 -71.09 -22.63 62.08 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 52.1 ttm -48.77 -34.01 11.42 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 m -68.67 -24.57 64.53 Favored 'General case' 0 C--O 1.196 -1.76 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 1.639 ' HD1' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -70.94 -12.31 61.46 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-N 118.459 0.572 . . . . 0.0 111.555 -174.186 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 6.6 mmm180 -60.47 -5.86 1.36 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -174.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.24 -17.88 17.12 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 118.226 0.466 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 1.661 ' HD1' ' CD2' ' A' ' 131' ' ' TYR . 38.0 m-85 -101.14 -37.65 8.48 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.242 0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.099 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -65.34 -46.47 80.11 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.07 60.38 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.325 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.97 -56.62 3.47 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.93 -36.35 77.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -67.97 -17.66 64.5 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.52 -39.04 58.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.9 mtt -74.76 -37.45 62.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' A' ' 121' ' ' VAL . . . -58.31 -40.55 82.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.032 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -35.46 76.25 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.243 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.45 -39.81 81.34 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.623 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 57.6 mt -79.31 -23.0 12.41 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 CA-C-O 122.043 0.925 . . . . 0.0 110.463 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -64.96 -22.33 66.98 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.728 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.82 -55.73 2.37 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.496 0.665 . . . . 0.0 109.475 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.59 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 24.5 t0 -98.9 112.38 62.73 Favored Pre-proline 0 C--N 1.311 -1.086 0 C-N-CA 124.555 1.142 . . . . 0.0 110.566 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -95.9 5.83 1.97 Allowed 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 122.479 2.12 . . . . 0.0 112.878 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 t -92.63 -35.77 13.35 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 109.954 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -8.41 59.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.16 0.505 . . . . 0.0 110.352 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.96 63.25 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -171.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.27 -50.3 73.34 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -39.56 60.99 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.66 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.468 ' HB ' HD12 ' A' ' 82' ' ' ILE . 26.7 t -78.08 -38.54 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.839 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.644 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 16.6 m-30 -62.75 -48.2 80.24 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -43.07 81.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.381 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.9 ptpp? -78.46 -27.26 46.33 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.416 -178.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -62.41 -28.15 69.59 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.98 -38.72 79.51 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.315 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -28.23 48.69 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.421 0.629 . . . . 0.0 109.724 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -81.56 0.76 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.784 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.3 9.24 85.28 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.103 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -93.31 113.13 25.23 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -105.63 165.97 10.78 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.991 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.3 tp -43.91 -54.1 5.59 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.758 1.223 . . . . 0.0 112.543 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -60.84 -35.93 77.81 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.12 -27.44 26.24 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 121.055 0.455 . . . . 0.0 110.1 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.88 -27.55 66.76 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.896 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -64.26 -31.92 73.31 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.57 -52.97 62.9 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.371 0.668 . . . . 0.0 110.275 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.657 ' HD2' ' CD1' ' A' ' 109' ' ' PHE . 22.0 m-85 -69.02 -49.8 54.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.318 -175.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 121' ' ' VAL . 8.1 mp -75.31 -17.96 60.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -167.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.1 mttp . . . . . 0 C--N 1.298 -1.67 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.646 ' HE1' ' CE2' ' A' ' 118' ' ' TYR . 65.3 m-85 . . . . . 0 CA--C 1.499 -1.006 0 CA-C-O 121.593 0.711 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.56 -19.07 61.56 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.646 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -55.83 -54.35 45.63 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-O 121.344 0.592 . . . . 0.0 109.86 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 79' ' ' ALA . 2.9 p -69.4 -32.05 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.518 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.651 ' HE2' ' CE1' ' A' ' 122' ' ' TYR . 87.4 t80 -64.6 -52.01 59.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 111.233 176.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -32.53 74.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.12 -32.22 58.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.895 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.43 -31.51 72.23 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.275 1.03 . . . . 0.0 111.532 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.9 tpt -51.74 -28.48 15.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.076 0.95 . . . . 0.0 112.246 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.3 m -57.59 -23.76 52.61 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.81 0.844 . . . . 0.0 112.247 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.495 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -72.86 -17.73 61.5 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.711 -0.618 . . . . 0.0 111.212 -176.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.511 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -70.32 0.39 6.55 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.027 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -86.04 -26.76 25.18 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -117.67 -28.47 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.511 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 45.5 t . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.15 -41.47 62.6 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' O ' ' HD3' ' A' ' 77' ' ' LYS . . . -68.12 -29.38 68.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.771 0.319 . . . . 0.0 111.832 -176.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.76 -43.4 14.29 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.004 0.43 . . . . 0.0 109.983 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.437 HG11 ' CZ2' ' A' ' 96' ' ' TRP . 90.7 t -61.16 -35.2 64.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.621 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 28.7 mtpp -67.57 -24.0 65.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' A' ' 73' ' ' ALA . 5.3 mptp? -82.62 -35.13 27.29 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.281 0.562 . . . . 0.0 109.521 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.1 mmt -72.29 -26.51 61.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.248 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.1 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HD3' ' C ' ' A' ' 80' ' ' LYS . 11.6 tmtt? -61.19 -44.4 97.35 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.563 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -60.44 -23.88 64.76 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.418 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.5 -59.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.9 ttp -58.56 -45.06 89.79 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.231 -173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.52 -25.5 19.23 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 123.881 0.738 . . . . 0.0 112.015 -175.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 5.2 m-20 -112.75 79.99 3.56 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.1 -34.14 29.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.223 1.949 . . . . 0.0 114.959 -168.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -82.48 -18.41 41.76 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.646 0.736 . . . . 0.0 109.721 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.94 -15.08 37.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.699 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.83 -37.99 20.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.86 -38.61 88.91 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 120.639 0.256 . . . . 0.0 111.155 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -37.52 61.76 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.683 0.754 . . . . 0.0 110.961 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.402 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 18.9 t -81.8 -40.3 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.33 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -62.47 -48.89 77.62 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -43.02 99.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.178 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.0 ptpp? -75.18 -28.93 60.23 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.9 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.459 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 25.0 m0 -66.17 -23.48 66.47 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.756 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.89 66.58 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.426 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -24.93 56.08 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.483 0.659 . . . . 0.0 109.702 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -75.41 -6.68 51.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.387 175.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.89 7.53 64.33 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.459 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -77.23 114.11 15.69 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.233 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.7 24.6 10.93 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.201 1.4 . . . . 0.0 113.255 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.1 tp 62.79 73.64 0.46 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.331 1.062 . . . . 0.0 110.907 -174.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.63 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.196 -1.366 . . . . 0.0 109.766 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -58.83 -26.17 63.9 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.835 1.254 . . . . 0.0 112.09 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.585 HD23 ' CD2' ' A' ' 125' ' ' TYR . 23.4 tp -53.55 -33.12 53.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.11 0.964 . . . . 0.0 111.223 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -60.61 -33.03 72.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.436 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.44 -42.59 15.48 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.38 -0.528 . . . . 0.0 112.273 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -58.49 -48.93 79.18 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.902 0.858 . . . . 0.0 111.025 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.76 -47.55 52.9 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm . . . . . 0 C--N 1.308 -1.201 0 C-N-CA 126.879 2.072 . . . . 0.0 111.895 171.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.648 ' HE2' ' CE1' ' A' ' 118' ' ' TYR . 21.4 m-85 . . . . . 0 CA--C 1.559 1.296 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.57 -64.35 0.75 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.537 1.535 . . . . 0.0 113.6 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -75.05 -32.97 61.67 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.74 -40.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.216 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.643 ' HD1' ' CD2' ' A' ' 122' ' ' TYR . 40.2 t80 -69.13 -53.19 21.45 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.042 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.57 -47.44 84.25 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.629 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.55 -43.21 99.14 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.585 ' CD2' HD23 ' A' ' 106' ' ' LEU . 71.5 t80 -62.09 -51.2 68.88 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.718 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -57.69 -22.07 44.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.3 m -67.24 -19.71 65.56 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.537 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 1.5 p90 -68.95 -13.36 62.4 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.555 -0.716 . . . . 0.0 111.357 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.503 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 18.3 mmm-85 -66.71 2.94 1.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.35 -31.13 57.9 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 172.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -79.85 -32.87 40.55 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.503 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 8.0 p . . . . . 0 C--O 1.249 1.074 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' OE1' ' HE3' ' A' ' 95' ' ' LYS . 31.0 tt0 . . . . . 0 CA--C 1.567 1.631 0 CA-C-O 121.277 0.56 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -48.99 -25.83 2.19 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.536 1.534 . . . . 0.0 114.597 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.456 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.87 -29.21 17.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.96 0.409 . . . . 0.0 111.895 -176.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.17 13.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 HG21 ' NE1' ' A' ' 96' ' ' TRP . 14.4 p -55.58 -38.95 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.338 0.655 . . . . 0.0 112.041 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.86 -27.59 68.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -74.2 -44.42 53.39 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.66 -42.11 95.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.776 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -60.73 -52.61 64.36 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.721 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.513 ' HB2' ' HZ2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -68.85 -21.25 64.28 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.922 0.391 . . . . 0.0 111.841 -178.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.86 66.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 58.3 mt -70.92 -36.18 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.207 0.527 . . . . 0.0 110.103 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.2 ttt -56.13 -25.94 48.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.952 0.901 . . . . 0.0 111.337 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.39 -22.85 14.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.662 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.533 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.8 t70 -152.76 119.47 3.04 Favored Pre-proline 0 C--O 1.249 1.058 0 C-N-CA 122.321 0.248 . . . . 0.0 110.779 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -92.73 2.06 3.72 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 122.57 2.18 . . . . 0.0 113.19 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.6 m -70.92 -45.06 64.89 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 117.602 0.183 . . . . 0.0 111.415 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -87.06 -4.5 59.16 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.22 -23.48 55.92 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -62.11 -52.09 65.28 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 122.845 0.458 . . . . 0.0 111.603 -174.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.23 -29.87 69.63 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.248 0.546 . . . . 0.0 111.043 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.1 t -63.6 -31.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.372 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.659 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 16.7 m-85 -70.19 -35.74 74.15 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.76 87.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.901 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' HE3' ' OE1' ' A' ' 71' ' ' GLU . 7.2 tmtm? -60.92 -36.53 79.55 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.674 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.451 ' NE1' HG21 ' A' ' 75' ' ' VAL . 23.3 m0 -70.41 -24.03 62.85 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.333 -0.854 . . . . 0.0 112.208 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.28 -24.7 63.09 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.481 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -68.56 -21.83 64.52 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 121.632 0.73 . . . . 0.0 109.49 177.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HD2' ' CG ' ' A' ' 98' ' ' ASP . 17.0 mmmt -91.86 -15.07 28.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.779 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.07 24.79 68.09 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.441 -176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 1.639 ' HE2' ' CE1' ' A' ' 101' ' ' TYR . 19.0 m-85 -67.53 114.15 5.95 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.304 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 m -98.87 94.35 6.53 Favored 'General case' 0 N--CA 1.425 -1.692 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.309 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.5 tp 38.09 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.386 2.274 . . . . 0.0 115.187 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 107' ' ' SER . 10.0 t -63.5 -20.79 65.9 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.945 1.298 . . . . 0.0 112.252 -175.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.8 -25.14 33.01 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 101' ' ' TYR . 67.1 tp -72.53 -25.79 61.51 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 104' ' ' THR . 17.6 m -61.02 -18.75 59.47 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.033 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 0.4 OUTLIER -84.72 -34.87 22.82 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 174.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 90.2 m-85 -68.47 -22.82 64.54 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.364 1.078 . . . . 0.0 109.146 175.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mp -107.7 3.63 24.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.744 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 108' ' ' ASP 0.443 62.0 mttm . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -172.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.658 ' HE1' ' CE2' ' A' ' 118' ' ' TYR . 81.9 m-85 . . . . . 0 C--O 1.218 -0.604 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.9 -52.07 3.11 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.246 1.018 . . . . 0.0 112.851 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 4.8 mmp_? -53.82 -44.12 69.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 79' ' ' ALA . 14.8 p -82.72 -31.81 9.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.385 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.614 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 87.9 t80 -62.26 -44.69 95.97 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.517 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -50.75 64.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 123.564 0.54 . . . . 0.0 110.367 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.9 -45.15 94.87 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.644 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -59.72 -47.66 84.76 Favored 'General case' 0 C--O 1.209 -1.035 0 C-N-CA 122.797 0.439 . . . . 0.0 111.65 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.0 ttt -53.93 -29.17 41.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.315 1.046 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.9 m -66.18 -19.5 65.85 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.747 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 1.659 ' HE2' ' CE1' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -68.12 -19.65 64.85 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 121.298 -0.876 . . . . 0.0 111.031 -177.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.501 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -69.23 -0.12 5.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -84.44 -28.58 26.75 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 1.626 ' HD1' ' CD2' ' A' ' 131' ' ' TYR . 65.0 m-85 -120.68 -25.42 5.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.929 -178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.481 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 41.0 t . . . . . 0 C--N 1.316 -0.855 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.505 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -46.48 -37.28 7.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.627 1.171 . . . . 0.0 112.767 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.89 64.9 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.164 0.506 . . . . 0.0 111.785 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.59 -35.12 21.22 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.511 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -58.26 -27.13 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.31 -41.66 73.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 0.0 110.091 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.07 -28.6 57.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.401 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.43 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -61.54 -48.76 79.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.303 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -36.13 81.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.407 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.79 82.52 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.591 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 71.2 mt -70.46 -25.09 26.27 Favored 'Isoleucine or valine' 0 C--O 1.251 1.177 0 CA-C-O 122.126 0.965 . . . . 0.0 110.575 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ttt -71.86 -19.8 61.9 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.906 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.55 -49.76 4.3 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 13.1 t70 -118.88 127.21 26.66 Favored Pre-proline 0 C--N 1.312 -1.046 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.407 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -95.86 6.8 1.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.303 2.002 . . . . 0.0 112.949 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -87.69 -52.05 5.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.749 0.309 . . . . 0.0 110.356 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -73.07 -4.2 31.09 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -176.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.59 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.162 0.985 . . . . 0.0 112.301 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -56.94 -52.0 66.94 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.857 0.863 . . . . 0.0 110.62 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 94' ' ' GLN . 1.4 t70 -55.68 -37.24 68.07 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.202 1.401 . . . . 0.0 112.17 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 82' ' ' ILE . 23.7 t -77.38 -40.3 28.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.852 -176.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.09 -35.46 80.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.558 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 1.9 tt0 -56.78 -57.34 12.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.264 173.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.573 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.4 tmtt? -61.09 -24.89 66.57 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.792 0.837 . . . . 0.0 110.395 -178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -83.5 -49.23 9.47 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.509 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.57 -27.02 62.87 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -23.7 52.95 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.398 0.618 . . . . 0.0 110.186 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -93.73 -7.72 42.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.133 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.67 30.77 52.0 Favored Glycine 0 N--CA 1.434 -1.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.405 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -74.08 135.78 42.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.334 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.496 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 25.5 p -98.69 159.75 14.74 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.159 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.77 -37.91 60.22 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.409 0.684 . . . . 0.0 112.345 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.3 t -66.48 -36.91 83.9 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.067 0.46 . . . . 0.0 110.758 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -75.59 -34.0 60.61 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 125' ' ' TYR . 3.3 tm? -63.12 -34.77 78.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.511 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -60.33 -50.42 73.71 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.02 -31.08 69.62 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.946 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.629 ' HE2' ' CE1' ' A' ' 109' ' ' PHE . 22.3 m-30 -72.01 -49.14 39.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.334 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.89 -43.84 34.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.28 -2.419 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 C--O 1.207 -1.132 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.81 -39.58 71.53 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.647 0.26 . . . . 0.0 111.206 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -53.45 -44.73 69.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 79' ' ' ALA . 7.3 p -83.96 -33.95 9.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.167 0.508 . . . . 0.0 110.631 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.658 ' HD2' ' CD1' ' A' ' 122' ' ' TYR . 86.8 t80 -69.15 -57.76 4.96 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.359 0.664 . . . . 0.0 112.222 -176.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.95 -31.43 72.0 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.12 -35.11 82.8 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.361 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.516 ' CD2' ' HG ' ' A' ' 106' ' ' LEU . 51.7 t80 -67.29 -28.75 68.28 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.116 0.567 . . . . 0.0 111.973 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.2 tpt -50.85 -32.67 20.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.288 0.635 . . . . 0.0 112.223 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -55.6 -19.63 10.91 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.242 1.017 . . . . 0.0 112.49 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.496 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -78.17 -20.4 52.05 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.427 -0.795 . . . . 0.0 110.363 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.11 -10.58 59.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.44 -167.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.49 -2.84 32.09 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.942 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 1.645 ' HE2' ' CE1' ' A' ' 131' ' ' TYR . 84.8 m-85 -127.24 -36.29 2.14 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.143 -177.828 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 30.9 pttt -42.36 -32.74 0.55 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -172.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.27 42.4 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.48 -39.46 18.88 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 120.91 0.386 . . . . 0.0 111.262 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 109' ' ' PHE . 12.4 p -57.93 -26.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.245 0.618 . . . . 0.0 111.501 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 68.0 mttm -62.27 -33.52 74.79 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.023 0.439 . . . . 0.0 110.825 176.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -69.32 -24.27 63.91 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.547 0.689 . . . . 0.0 110.762 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.0 mmt -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.7 81.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.917 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -62.17 -26.24 68.23 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.387 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.73 -39.13 22.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.392 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.9 mm -65.98 -32.03 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.37 1.081 . . . . 0.0 108.709 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.2 ttm -70.29 -25.9 63.54 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.681 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.57 -51.8 8.34 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.461 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 19.7 t70 -133.83 122.53 16.59 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.958 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -94.32 7.39 2.37 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 m -84.37 -42.15 16.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.597 0.713 . . . . 0.0 109.698 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.499 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -85.66 -5.37 59.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.288 177.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.65 -39.56 58.39 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.03 -38.38 62.34 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.15 -30.37 70.33 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 119.566 -0.853 . . . . 0.0 111.211 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.428 ' HA ' ' HB2' ' A' ' 95' ' ' LYS . 47.9 t -81.57 -28.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.667 ' HE2' ' CE1' ' A' ' 93' ' ' TYR . 21.1 m-30 -63.02 -45.0 94.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.48 80.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.603 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 7.1 mmtm -67.65 -45.3 75.71 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.024 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.174 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.91 89.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.603 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -80.65 -12.77 59.44 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.845 0.831 . . . . 0.0 110.534 -177.019 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HZ3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -97.7 -4.09 37.92 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 178.167 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.8 22.19 67.0 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.316 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -98.78 113.86 26.15 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.6 p -103.67 172.2 6.94 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.919 0.137 . . . . 0.0 110.712 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.87 -42.39 68.55 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.867 0.867 . . . . 0.0 112.203 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -69.21 -28.12 66.09 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.46 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.81 -24.12 67.59 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.395 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 111' ' ' LYS . 58.3 m -61.84 -30.24 70.71 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.135 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.82 -45.79 12.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.824 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' HB3' HG13 ' A' ' 75' ' ' VAL . 21.5 m-30 -52.39 -48.99 65.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.627 1.204 . . . . 0.0 111.519 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.8 -47.03 10.1 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.657 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.477 ' HB2' ' HZ3' ' A' ' 111' ' ' LYS . 3.1 ttmp? . . . . . 0 C--O 1.241 0.619 0 CA-C-O 123.263 1.506 . . . . 0.0 108.764 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -64.38 0.64 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.142 1.777 . . . . 0.0 113.803 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.34 -49.44 76.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.01 -43.07 89.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -174.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 85.0 t80 -71.76 -55.15 8.17 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.216 -176.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.57 -37.16 92.35 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.544 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.88 -33.67 76.57 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.565 0.346 . . . . 0.0 111.674 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.8 ttt -50.33 -34.33 23.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.001 0.921 . . . . 0.0 112.395 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.2 m -57.38 -20.8 31.82 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.414 1.086 . . . . 0.0 112.342 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 1.638 ' HD1' ' CD2' ' A' ' 128' ' ' TYR . 0.9 OUTLIER -62.82 -24.73 67.91 Favored 'General case' 0 C--O 1.207 -1.162 0 O-C-N 121.77 -0.581 . . . . 0.0 111.003 -177.147 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.559 ' HA ' ' NE ' ' A' ' 129' ' ' ARG . 1.0 OUTLIER -64.97 -18.08 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.25 -11.18 50.43 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.478 0.486 . . . . 0.0 111.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -136.64 -27.84 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.406 ' C ' HH21 ' A' ' 129' ' ' ARG . 11.1 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.927 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 51.1 mmtt -54.98 -48.0 73.85 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.545 1.164 . . . . 0.0 108.66 175.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' LYS . . . -76.59 -19.36 57.94 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.477 -1.692 . . . . 0.0 111.722 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.36 -56.95 3.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.838 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.76 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 76.4 tttt -70.19 -18.06 63.17 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.493 0.663 . . . . 0.0 111.198 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.5 tppp? -76.66 -29.9 56.57 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.0 mtt -82.57 -36.98 25.74 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.74 -41.13 76.97 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.626 0.771 . . . . 0.0 110.027 176.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -57.99 -29.45 65.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.908 175.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.23 -35.75 47.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 0.0 111.601 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 92' ' ' VAL . 1.9 mp -74.4 -26.59 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.469 0.652 . . . . 0.0 110.397 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.3 ptm -70.3 -16.5 63.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.879 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.03 -58.4 2.41 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.519 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 18.6 t70 -115.0 115.66 43.1 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -95.44 13.26 1.29 Allowed 'Trans proline' 0 N--CA 1.436 -1.893 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 -43.81 9.21 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.519 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.14 -4.54 59.19 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.54 0.686 . . . . 0.0 110.755 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.85 -32.75 15.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.464 -1.244 . . . . 0.0 113.186 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.23 -49.94 70.72 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -54.86 -42.61 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.706 1.202 . . . . 0.0 111.859 176.007 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.412 HG22 HD12 ' A' ' 82' ' ' ILE . 55.3 t -74.38 -32.34 30.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.757 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -68.54 -47.02 67.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 4.8 pp0? -66.35 -36.61 83.34 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.542 -177.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -75.76 -17.49 59.87 Favored 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.406 179.465 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -79.31 -40.66 29.83 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.115 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.07 96.4 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.941 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.484 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -74.13 -20.44 60.24 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.921 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 47.7 mmtm -90.16 -2.48 58.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.822 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.84 12.03 58.35 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.846 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -72.34 125.84 28.37 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.128 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -104.34 142.65 34.18 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.883 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -42.15 -45.1 3.92 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.184 1.394 . . . . 0.0 113.103 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -56.55 -32.6 65.31 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -77.54 -22.22 51.39 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 122.638 0.375 . . . . 0.0 110.78 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 125' ' ' TYR . 20.8 tp -67.69 -26.35 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 0.0 109.838 -176.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m -62.22 -33.59 74.85 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.929 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 29.4 t70 -75.42 -34.19 61.0 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.398 0.618 . . . . 0.0 110.689 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.663 ' HD2' ' CD1' ' A' ' 109' ' ' PHE . 19.0 m-85 -75.11 -49.0 21.03 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -86.85 22.81 1.87 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.286 0.846 . . . . 0.0 113.286 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 108' ' ' ASP . 24.8 pttm . . . . . 0 C--O 1.257 1.495 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.215 -0.755 0 CA-C-O 121.263 0.554 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.84 -23.82 66.07 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.41 -55.88 17.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.1 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 p -68.25 -36.82 76.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.776 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.646 ' HE2' ' CE1' ' A' ' 122' ' ' TYR . 63.8 t80 -64.45 -58.62 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.426 0.155 . . . . 0.0 111.388 -178.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -62.27 -35.67 79.69 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.479 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.12 -49.79 68.64 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 1.65 ' HD2' ' CD1' ' A' ' 125' ' ' TYR . 69.8 t80 -61.79 -38.7 89.03 Favored 'General case' 0 C--O 1.195 -1.79 0 C-N-CA 122.752 0.421 . . . . 0.0 110.828 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -51.52 -33.11 30.39 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.618 0.767 . . . . 0.0 111.732 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.2 m -65.21 -19.57 66.03 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.623 0.769 . . . . 0.0 111.672 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.9 OUTLIER -66.35 -18.45 65.37 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.48 -0.762 . . . . 0.0 110.174 -178.469 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.2 mmm180 -65.78 -13.72 59.98 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.28 -17.38 27.54 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.473 0.654 . . . . 0.0 110.278 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -118.41 -36.71 3.47 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.239 0.542 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.6 -29.45 70.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.238 0.542 . . . . 0.0 110.877 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.06 -20.66 64.1 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.971 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.51 -44.26 12.84 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.05 -37.85 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.01 0.924 . . . . 0.0 111.589 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -61.32 -22.44 64.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -35.18 46.27 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.62 -42.08 78.58 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.112 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.492 ' HZ2' ' HB2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -72.71 -21.3 61.07 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.38 -43.9 22.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.88 -31.3 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.74 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.76 -24.77 67.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.61 -55.27 3.86 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.425 ' OD2' ' HG2' ' A' ' 88' ' ' LYS . 12.2 t70 -108.03 116.33 57.18 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.242 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.04 -5.43 7.71 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 122.423 2.082 . . . . 0.0 113.167 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -69.58 -45.01 69.65 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-O 120.876 0.37 . . . . 0.0 110.925 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.425 ' HG2' ' OD2' ' A' ' 85' ' ' ASP . 8.6 ptpp? -86.81 -7.05 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.542 0.687 . . . . 0.0 110.429 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.77 95.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -168.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 9.7 t70 -65.37 -46.3 80.7 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-O 121.037 0.446 . . . . 0.0 110.431 -174.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.7 -28.09 65.46 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.628 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.2 t -83.5 -35.19 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 20.0 m-85 -63.35 -48.26 78.72 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.8 -32.26 73.68 Favored 'General case' 0 C--O 1.198 -1.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.73 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tmmm? -70.04 -28.56 65.56 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 121.648 0.737 . . . . 0.0 109.823 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -71.0 -41.97 70.24 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.611 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.62 84.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.047 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -23.07 65.13 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.562 0.696 . . . . 0.0 111.233 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -93.88 1.83 56.29 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.056 -0.403 . . . . 0.0 110.911 175.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 4.4 68.83 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.941 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 1.666 ' HD1' ' CD2' ' A' ' 101' ' ' TYR . 12.6 m-85 -85.9 113.51 22.09 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t -111.67 165.17 12.26 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.833 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.1 tp -71.26 81.82 0.74 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.958 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.8 t 170.05 -42.31 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.837 2.055 . . . . 0.0 106.233 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.07 -40.66 16.56 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.044 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.27 -28.33 67.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.334 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.8 m -63.94 -26.0 68.39 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.435 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.21 -26.21 28.9 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-O 121.214 0.53 . . . . 0.0 111.148 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.614 ' HE2' ' CE1' ' A' ' 109' ' ' PHE . 53.9 m-85 -66.48 -47.4 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.34 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.92 -32.41 40.16 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.562 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.8 tptt . . . . . 0 CA--C 1.504 -0.795 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -174.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.622 ' HD1' ' CD2' ' A' ' 118' ' ' TYR . 61.6 m-85 . . . . . 0 C--O 1.217 -0.633 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.06 -63.24 1.16 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 126.399 1.88 . . . . 0.0 111.288 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.22 -39.77 93.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.813 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.96 -38.65 43.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.098 -0.641 . . . . 0.0 112.025 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.88 -52.78 47.26 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.53 -32.32 73.91 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.21 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -46.18 60.73 Favored Glycine 0 N--CA 1.438 -1.229 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -63.62 -37.44 87.32 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.387 0.675 . . . . 0.0 110.971 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.8 ttp -50.61 -31.94 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.185 0.994 . . . . 0.0 112.148 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -58.67 -24.44 61.26 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -13.98 62.72 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.892 -0.505 . . . . 0.0 110.892 -176.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -61.89 -6.09 2.54 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.48 -28.9 18.26 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.486 0.491 . . . . 0.0 111.021 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -86.7 -38.29 17.13 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.667 -0.813 . . . . 0.0 112.749 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.248 1.015 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.389 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -51.91 -34.11 39.99 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 123.736 0.814 . . . . 0.0 112.484 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -78.36 -22.06 48.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.505 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.65 -47.54 9.72 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.2 -49.25 77.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.122 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.03 -17.62 63.54 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -69.77 -53.02 20.26 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.444 ' O ' HG13 ' A' ' 82' ' ' ILE . 18.6 mmt -68.84 -38.09 79.57 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 124.218 0.949 . . . . 0.0 112.121 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -53.03 -59.37 4.63 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 124.368 1.042 . . . . 0.0 110.967 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.526 ' HZ3' ' HB3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -66.27 -22.85 66.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.913 178.606 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.85 -30.85 67.36 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 66.4 mt -80.4 -22.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.879 0.847 . . . . 0.0 108.769 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.436 ' HE3' ' HG2' ' A' ' 80' ' ' LYS . 64.8 ttp -61.95 -34.68 76.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.147 176.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.59 -46.71 6.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.619 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 22.8 t70 -115.99 123.23 31.28 Favored Pre-proline 0 C--O 1.247 0.921 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.15 4.59 3.22 Favored 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.1 t -85.33 -51.41 6.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.401 0.62 . . . . 0.0 109.689 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.619 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -78.45 -5.42 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.705 0.764 . . . . 0.0 111.036 178.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.06 -49.66 68.49 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.417 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.77 -39.33 84.52 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -38.97 56.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.956 0.884 . . . . 0.0 110.602 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.5 t -79.61 -36.3 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.806 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.983 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.496 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 4.7 m-85 -59.25 -47.31 85.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.551 0.215 . . . . 0.0 110.693 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.632 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -69.23 -40.46 77.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.237 0.541 . . . . 0.0 111.05 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.521 ' HZ1' ' HB2' ' A' ' 95' ' ' LYS . 4.1 ttmp? -68.04 -33.83 75.32 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.16 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.477 ' HB3' ' HH ' ' A' ' 125' ' ' TYR . 13.9 m0 -69.86 -22.44 63.26 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.308 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.8 -39.26 21.98 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.61 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.518 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -76.62 -29.52 56.52 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.007 0.432 . . . . 0.0 110.829 -176.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -80.81 1.91 28.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.732 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.09 15.84 77.96 Favored Glycine 0 N--CA 1.434 -1.453 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 173.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -64.73 112.93 3.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.392 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 42.46 0.61 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.822 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.3 tp 63.17 -72.13 0.05 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.344 1.058 . . . . 0.0 113.493 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.2 t -69.36 -6.17 28.18 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.648 0.779 . . . . 0.0 112.532 -174.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -84.97 -23.7 28.63 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.5 tp -75.93 -30.41 58.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 m -54.43 -36.81 64.43 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 114.065 -1.425 . . . . 0.0 112.238 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -84.54 -32.92 23.6 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.84 -35.11 80.05 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 122.388 1.09 . . . . 0.0 109.02 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.75 28.0 2.85 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.924 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 tptp . . . . . 0 CA--C 1.515 -0.388 0 C-N-CA 125.377 1.471 . . . . 0.0 111.237 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 1.649 ' HE1' ' CE2' ' A' ' 118' ' ' TYR . 78.6 m-85 . . . . . 0 N--CA 1.44 -0.944 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.36 -62.52 1.45 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.482 1.513 . . . . 0.0 112.241 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -44.24 84.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -66.45 -45.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.417 ' O ' ' HG3' ' A' ' 126' ' ' MET . 83.3 t80 -79.63 -47.98 14.51 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.002 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -65.88 -32.95 74.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.27 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.87 45.77 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.496 ' HA ' ' CE2' ' A' ' 93' ' ' TYR . 79.5 t80 -54.68 -40.36 69.03 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.135 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 122' ' ' TYR . 86.3 mtp -51.64 -32.15 28.21 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.571 0.749 . . . . 0.0 112.584 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -66.08 -19.61 65.9 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.755 0.822 . . . . 0.0 112.072 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -24.21 65.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.923 -0.486 . . . . 0.0 111.579 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 1.1 tpm_? -68.04 -11.81 59.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.711 -166.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.17 -32.72 22.55 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.27 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.78 -36.39 6.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--O 1.256 1.411 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -177.665 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.517 ' O ' HG21 ' A' ' 75' ' ' VAL . 35.4 mt-10 . . . . . 0 C--O 1.215 -0.727 0 CA-C-O 120.647 0.261 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -45.88 -27.16 0.81 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.736 1.615 . . . . 0.0 115.013 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.42 -28.25 18.76 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -176.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.17 24.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.73 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 71' ' ' GLU . 76.4 t -55.53 -48.69 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.861 176.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.35 -20.84 66.57 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.112 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -76.49 -44.68 34.29 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.87 -30.41 61.32 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.227 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.03 90.4 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.744 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.0 tmtm? -65.71 -35.28 80.31 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.339 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -44.58 69.69 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.59 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 68.7 mt -69.35 -23.2 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.963 . . . . 0.0 110.387 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.516 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 7.5 ttt -60.79 -24.59 65.91 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.198 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.38 -54.79 2.53 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.604 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 18.1 t70 -106.92 127.22 28.46 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.466 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -96.42 1.34 1.99 Allowed 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.435 2.09 . . . . 0.0 112.898 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -79.33 -49.13 12.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.532 ' HE3' ' O ' ' A' ' 88' ' ' LYS 0.291 0.1 OUTLIER -81.01 -5.43 57.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.156 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.79 -43.73 2.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.941 1.297 . . . . 0.0 113.997 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.58 -46.61 73.78 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.62 0.575 . . . . 0.0 111.835 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -34.39 49.82 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.18 0.992 . . . . 0.0 112.094 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' HB ' HD12 ' A' ' 82' ' ' ILE . 65.9 t -83.17 -44.38 18.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.426 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.624 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 18.7 m-30 -60.65 -46.68 89.41 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 123.37 0.418 . . . . 0.0 110.766 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -67.6 -34.79 77.71 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.713 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.679 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 2.9 ttmp? -81.53 -40.0 23.82 Favored 'General case' 0 C--O 1.2 -1.516 0 CA-C-O 122.034 0.921 . . . . 0.0 110.401 -175.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.506 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 2.3 m-90 -66.92 -21.5 65.99 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.214 1.007 . . . . 0.0 109.677 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . . . -76.01 -44.41 39.65 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 113.977 -1.465 . . . . 0.0 109.641 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.679 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -72.86 -36.95 67.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 123.51 0.506 . . . . 0.0 111.034 -177.146 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 13.3 mmmm -74.41 2.81 8.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.314 -177.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.85 -0.57 87.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.001 0.76 . . . . 0.0 115.001 173.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.76 113.4 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.139 0.971 . . . . 0.0 110.478 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -95.76 139.42 32.02 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -42.95 -44.18 4.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.23 1.412 . . . . 0.0 112.985 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 -41.73 99.02 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -82.25 -29.43 31.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.77 0.795 . . . . 0.0 109.069 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.09 -26.43 68.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.104 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.0 m -61.48 -31.26 71.23 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.252 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.421 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 21.3 t70 -80.98 -35.13 32.44 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.195 0.521 . . . . 0.0 110.184 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.619 ' HE2' ' CE1' ' A' ' 109' ' ' PHE . 46.0 m-85 -65.95 -30.34 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.611 178.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.38 -42.34 20.61 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 14.5 tppt? . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.553 1.941 . . . . 0.0 110.519 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.412 ' O ' HG13 ' A' ' 121' ' ' VAL . 56.1 m-85 . . . . . 0 CA--C 1.487 -1.456 0 CA-C-O 122.784 1.278 . . . . 0.0 107.827 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -31.39 70.74 Favored 'General case' 0 C--N 1.269 -2.923 0 CA-C-N 113.483 -1.69 . . . . 0.0 110.079 -177.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -61.68 -46.67 88.72 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.361 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 118' ' ' TYR . 12.8 p -78.25 -30.24 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.24 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.649 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 55.0 t80 -58.9 -46.9 86.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.455 0.702 . . . . 0.0 110.643 176.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.44 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.64 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.2 98.99 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 1.61 ' HE1' ' CE2' ' A' ' 125' ' ' TYR . 20.6 m-85 -59.42 -23.95 63.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.907 0.483 . . . . 0.0 112.233 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 87.1 mtp -66.3 -22.76 66.3 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.753 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 73.6 p -81.18 -37.63 28.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -70.4 -34.5 72.61 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.274 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 132' ' ' VAL . 3.6 tpm_? -76.25 2.53 13.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.545 -168.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.33 -27.99 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.819 0.819 . . . . 0.0 108.899 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.49 -12.48 15.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.559 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 129' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.572 ' O ' HG11 ' A' ' 75' ' ' VAL . 30.3 mt-10 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.931 0.396 . . . . 0.0 111.727 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.558 ' O ' HG21 ' A' ' 75' ' ' VAL . 17.9 ptmt -62.94 -24.43 67.87 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.324 1.05 . . . . 0.0 112.812 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.14 68.41 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.25 0.548 . . . . 0.0 110.235 174.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -36.89 58.08 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.481 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.658 ' HB ' ' CH2' ' A' ' 96' ' ' TRP . 6.0 m -61.05 -36.28 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 67.9 mttm -65.82 -33.13 75.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 120.788 0.328 . . . . 0.0 110.722 178.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -68.66 -25.34 64.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.329 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.6 mmt -83.63 -47.2 11.51 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.68 -43.13 76.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.123 -1.398 . . . . 0.0 111.674 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.649 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -59.9 -45.11 93.56 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.744 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.61 64.82 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.4 tt -76.33 -23.2 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 122.46 1.124 . . . . 0.0 109.615 175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 18.8 ttm -66.73 -30.56 70.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.368 171.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.64 -58.51 3.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.535 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 27.0 t70 -117.83 118.64 34.63 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-O 120.879 0.371 . . . . 0.0 111.476 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -96.8 14.93 0.83 Allowed 'Trans proline' 0 N--CA 1.437 -1.8 0 C-N-CA 122.679 2.252 . . . . 0.0 112.181 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -90.55 -38.91 12.87 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 121.804 0.812 . . . . 0.0 109.09 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.535 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.83 -3.57 59.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.29 176.143 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.89 -43.02 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.836 1.654 . . . . 0.0 115.119 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.81 -55.54 4.42 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.594 1.158 . . . . 0.0 113.561 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 3.0 p30 -66.2 -25.65 67.03 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.07 -36.5 21.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.646 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 32.4 m-85 -61.15 -46.67 89.57 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -23.34 60.15 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 7.3 tmtm? -83.26 -21.0 33.45 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.964 0.888 . . . . 0.0 109.422 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.658 ' CH2' ' HB ' ' A' ' 75' ' ' VAL . 15.0 t-105 -83.9 -35.47 24.06 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.23 86.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 108.941 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -52.94 -37.93 61.43 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 125.629 1.572 . . . . 0.0 110.863 172.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HZ3' ' CD ' ' A' ' 71' ' ' GLU . 29.8 mmmt -78.96 -10.82 59.94 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.326 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.53 21.09 79.83 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 116.223 -0.444 . . . . 0.0 113.083 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.34 137.19 38.61 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.703 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.7 p -99.92 149.36 23.5 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.932 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.03 -33.22 62.47 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.837 0.855 . . . . 0.0 112.659 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.2 t -68.52 -28.41 66.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.836 0.351 . . . . 0.0 111.366 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.21 -21.1 29.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.529 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -54.4 -37.02 64.57 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.731 0.813 . . . . 0.0 111.536 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.0 t -67.91 -24.95 65.27 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.774 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 27.3 t70 -83.39 -32.17 26.3 Favored 'General case' 0 C--O 1.245 0.832 0 O-C-N 121.771 -0.581 . . . . 0.0 110.284 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.86 -48.83 51.75 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.057 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.66 -41.38 13.43 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.342 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 74.6 mmtt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 122.297 1.046 . . . . 0.0 111.816 -174.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.432 -1.364 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -35.83 -63.06 0.39 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.747 1.619 . . . . 0.0 113.986 -173.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.32 -39.67 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.5 p -84.03 -36.98 12.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.617 ' HD1' ' CD2' ' A' ' 122' ' ' TYR . 78.0 t80 -63.94 -52.53 59.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.997 0.427 . . . . 0.0 110.353 -177.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -34.4 77.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.83 -46.02 94.14 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.503 -0.38 . . . . 0.0 112.289 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -70.56 -23.22 62.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.427 -0.455 . . . . 0.0 112.2 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.9 ttp -66.15 -41.9 89.79 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.741 ' HA ' ' OD2' ' A' ' 130' ' ' ASP . 60.9 m -64.23 -19.84 65.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -74.29 -24.04 59.19 Favored 'General case' 0 C--O 1.191 -1.98 0 C-N-CA 116.611 -2.036 . . . . 0.0 109.716 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.06 -6.79 59.43 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.346 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.741 ' OD2' ' HA ' ' A' ' 127' ' ' THR . 26.6 m-20 -83.44 -13.18 55.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.113 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 1.627 ' HE2' ' CE1' ' A' ' 131' ' ' TYR . 74.5 m-85 -127.65 -30.85 2.51 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.313 -1.015 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -178.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' O ' HG21 ' A' ' 75' ' ' VAL . 48.5 mt-10 . . . . . 0 C--O 1.199 -1.572 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.72 -36.98 70.32 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -23.3 61.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.236 0.541 . . . . 0.0 110.757 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.58 -36.83 20.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.791 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 71' ' ' GLU . 75.0 t -54.77 -42.54 62.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 C-N-CA 123.988 0.915 . . . . 0.0 111.312 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.78 -24.6 67.82 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 62.1 mttp -80.78 -32.12 35.53 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mmt -74.03 -31.06 62.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.379 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -65.99 -41.65 90.8 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.487 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -65.09 -36.18 83.47 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HA ' ' OD1' ' A' ' 85' ' ' ASP . . . -66.89 -45.43 78.03 Favored 'General case' 0 C--O 1.171 -3.03 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.52 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.493 HD12 ' HB ' ' A' ' 92' ' ' VAL . 71.5 mt -65.38 -34.65 71.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.127 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.5 ttp -71.55 -30.1 65.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.635 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.465 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -103.07 -60.56 1.53 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.382 0.611 . . . . 0.0 111.104 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.461 ' OD1' ' HA ' ' A' ' 81' ' ' ALA . 1.3 m-20 -86.66 99.06 0.96 Allowed Pre-proline 0 C--N 1.288 -2.074 0 C-N-CA 125.73 1.612 . . . . 0.0 109.058 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 68.1 Cg_endo -76.34 -16.24 17.45 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 121.561 1.508 . . . . 0.0 113.22 -172.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -87.64 -12.1 46.53 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-O 120.773 0.321 . . . . 0.0 110.137 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 88' ' ' LYS . 9.0 tmtm? -89.19 -7.9 54.67 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.642 0.734 . . . . 0.0 110.069 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.38 94.01 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -57.55 -52.94 63.35 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.331 0.653 . . . . 0.0 111.283 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.06 -50.42 15.2 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 125.243 1.417 . . . . 0.0 112.713 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.493 ' HB ' HD12 ' A' ' 82' ' ' ILE . 21.5 t -74.01 -29.58 25.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.433 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.659 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 3.2 m-85 -63.7 -35.51 80.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.023 0.439 . . . . 0.0 110.497 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -33.98 31.99 Favored 'General case' 0 CA--C 1.475 -1.911 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.607 177.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 4.4 tmtt? -65.29 -31.29 72.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . 0.258 42.6 m0 -77.52 -40.57 42.29 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.549 -1.26 . . . . 0.0 112.295 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.61 78.2 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.504 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -46.64 -42.39 16.22 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 125.249 1.42 . . . . 0.0 113.223 174.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HG2' ' OD2' ' A' ' 98' ' ' ASP . 46.5 mmtm -105.51 0.58 26.8 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.882 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.76 35.39 89.8 Favored Glycine 0 N--CA 1.433 -1.564 0 O-C-N 124.05 0.844 . . . . 0.0 112.898 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 1.649 ' HE2' ' CE1' ' A' ' 101' ' ' TYR . 84.0 m-85 -55.53 113.36 1.41 Allowed 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 m -79.82 137.79 37.05 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.288 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.6 tp -68.07 79.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.667 0.746 . . . . 0.0 111.595 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t 174.45 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 126.868 2.067 . . . . 0.0 106.06 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -76.86 -33.28 57.88 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.2 tp -52.54 -29.07 23.43 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.429 -1.259 . . . . 0.0 111.091 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t -59.56 -35.68 74.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.494 ' CG ' ' HZ2' ' A' ' 111' ' ' LYS . 16.2 t70 -84.2 -27.95 27.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.047 -1.061 . . . . 0.0 111.66 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.98 -41.85 99.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.899 0.38 . . . . 0.0 110.757 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.71 -23.65 29.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.742 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.494 ' HZ2' ' CG ' ' A' ' 108' ' ' ASP . 74.7 mmtt . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 125.239 1.416 . . . . 0.0 110.005 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 CA--C 1.55 0.96 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.99 -64.34 0.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.859 1.664 . . . . 0.0 113.264 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.75 -39.96 78.59 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 79' ' ' ALA . 3.3 p -78.26 -47.8 23.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.285 -0.566 . . . . 0.0 112.101 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.619 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 68.8 t80 -71.6 -55.23 8.17 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.657 -174.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.467 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 15.2 m120 -63.01 -32.22 73.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.004 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.95 -30.61 65.42 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.673 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 1.669 ' HD1' ' CD2' ' A' ' 125' ' ' TYR . 63.1 t80 -81.55 -23.18 37.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 122.663 -0.316 . . . . 0.0 111.261 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 87.9 mtp -50.79 -33.12 22.13 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.241 0.617 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -54.3 -22.06 10.94 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.777 1.631 . . . . 0.0 113.031 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 1.613 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -69.24 -33.26 73.01 Favored 'General case' 0 C--O 1.193 -1.895 0 CA-C-O 121.231 0.539 . . . . 0.0 111.484 -176.019 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -60.83 -34.15 74.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 124.263 1.025 . . . . 0.0 113.053 -166.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.93 9.77 28.61 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.067 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -136.89 -37.41 0.66 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.472 1.109 . . . . 0.0 110.058 -177.246 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.188 0 N-CA-C 103.078 -2.934 . . . . 0.0 103.078 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 1.7 pttm -47.98 -27.04 2.0 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 113.281 -1.781 . . . . 0.0 115.559 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.39 -32.33 48.76 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.566 -0.708 . . . . 0.0 111.31 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.94 -40.32 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.027 0.531 . . . . 0.0 111.178 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG13 ' HB3' ' A' ' 109' ' ' PHE . 8.6 p -58.28 -27.72 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 121.413 0.625 . . . . 0.0 110.201 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HD2' ' CE2' ' A' ' 118' ' ' TYR . 53.3 mtmt -71.31 -17.86 62.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -38.68 88.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.0 mmm -78.68 -29.53 45.62 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.23 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -65.9 -44.65 84.63 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.002 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.4 -35.69 72.42 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 121.561 0.696 . . . . 0.0 110.294 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.94 -24.21 62.4 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.648 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.435 HD12 ' CG1' ' A' ' 92' ' ' VAL . 72.5 mt -86.33 -42.22 15.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.791 -0.568 . . . . 0.0 109.635 173.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.645 ' SD ' ' HB2' ' A' ' 120' ' ' ARG . 10.0 tpt -51.59 -46.44 63.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.585 1.154 . . . . 0.0 111.679 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.36 -33.39 9.59 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 4.2 p-10 -131.74 70.3 81.15 Favored Pre-proline 0 C--O 1.253 1.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.047 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.17 11.7 1.16 Allowed 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 124.445 3.43 . . . . 0.0 115.415 -168.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -65.45 -27.13 68.29 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.287 0.565 . . . . 0.0 110.521 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 9.3 ptpp? -88.42 -7.36 56.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.811 -178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.08 60.17 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -165.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.7 -56.56 17.93 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.48 -48.15 66.09 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.414 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.435 ' CG1' HD12 ' A' ' 82' ' ' ILE . 11.8 t -69.97 -33.11 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.607 -171.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.648 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 10.6 m-30 -69.27 -50.99 41.9 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 121.277 0.56 . . . . 0.0 109.806 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -43.57 95.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.821 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.674 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 tmmm? -77.49 -17.51 57.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -82.33 -33.7 28.84 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.751 -0.593 . . . . 0.0 109.492 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.85 88.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.071 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.542 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.8 p-10 -80.96 -8.82 59.85 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.383 0.611 . . . . 0.0 109.937 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.674 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -83.81 -14.52 51.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.38 22.68 28.68 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.391 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 1.641 ' HE2' ' CE1' ' A' ' 101' ' ' TYR . 20.8 m-85 -88.12 113.43 23.74 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.507 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.48 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 17.1 m -90.09 145.5 25.02 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 44.8 tp -42.72 -45.19 4.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.778 1.231 . . . . 0.0 112.56 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -67.02 -26.72 66.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.013 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -84.2 -34.78 23.86 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.13 -18.28 63.25 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.267 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.0 m -66.92 -25.63 66.46 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.699 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.76 -41.29 30.98 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.622 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 88.1 m-85 -65.95 -49.09 69.13 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.304 -178.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.25 22.64 0.98 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 123.444 0.698 . . . . 0.0 112.602 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.412 ' HB2' ' HZ3' ' A' ' 111' ' ' LYS . 4.1 ttmp? . . . . . 0 C--O 1.259 1.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.498 ' CE2' ' HD2' ' A' ' 76' ' ' LYS . 94.5 m-85 . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.995 0.426 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -49.73 -42.2 45.59 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 124.352 1.061 . . . . 0.0 112.744 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.645 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.6 mmp_? -65.49 -48.77 71.47 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 79' ' ' ALA . 7.1 p -70.72 -37.37 68.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.534 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 1.605 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 66.1 t80 -70.79 -54.68 10.75 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.906 0.384 . . . . 0.0 110.215 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.475 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 2.8 t-20 -58.17 -37.5 74.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.591 0.756 . . . . 0.0 110.989 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.65 -45.01 79.71 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.636 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -59.18 -26.21 64.6 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.634 0.774 . . . . 0.0 110.999 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.475 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 88.5 mtp -56.26 -22.77 31.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.914 0.886 . . . . 0.0 112.373 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.4 p -64.53 -25.66 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.1 OUTLIER -74.11 -13.87 60.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.126 0.489 . . . . 0.0 110.795 -177.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.563 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 32.2 ttt85 -79.94 13.59 2.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.532 1.158 . . . . 0.0 111.779 -173.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.0 -28.82 57.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 168.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -109.8 -36.09 6.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.238 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.563 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 7.0 p . . . . . 0 C--O 1.248 1.011 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 . . . . . 0 C--O 1.205 -1.254 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -51.45 -35.49 39.83 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.515 1.126 . . . . 0.0 112.843 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.25 -20.78 20.8 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.091 0.472 . . . . 0.0 112.012 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.22 11.68 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.21 -30.62 35.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.76 0 C-N-CA 123.526 0.731 . . . . 0.0 112.698 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -66.99 -26.24 66.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.342 0.591 . . . . 0.0 111.728 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.35 -34.97 36.15 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.9 mtt -68.21 -37.27 80.7 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.306 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 83' ' ' MET . . . -54.49 -46.53 73.45 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.177 0.991 . . . . 0.0 111.585 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -72.3 -28.54 63.16 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.596 178.109 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -67.65 -23.25 65.31 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' A' ' 89' ' ' ALA . 1.8 mp -86.5 -57.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.559 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 25.6 ptt? -67.04 -27.44 67.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -170.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.49 20.53 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.995 0.426 . . . . 0.0 110.682 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.661 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -136.94 67.5 56.7 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.99 -22.02 52.97 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 123.354 2.702 . . . . 0.0 115.536 -170.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 p -74.26 -27.15 60.62 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -87.79 -7.58 57.11 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.928 0.871 . . . . 0.0 110.859 -177.101 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HA ' HG13 ' A' ' 82' ' ' ILE . . . -60.13 -42.66 95.31 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -167.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.2 -41.11 90.62 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.328 0.513 . . . . 0.0 111.857 -173.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.23 -35.48 71.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.516 0.674 . . . . 0.0 110.282 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.52 -30.12 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.904 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.08 -44.69 96.13 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -22.94 61.43 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.487 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.1 tmtm? -77.64 -34.15 53.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.438 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.4 m0 -73.65 -36.26 65.37 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.91 85.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -52.59 -31.97 38.93 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.429 0.692 . . . . 0.0 111.813 172.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 3.27 37.45 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.535 -0.728 . . . . 0.0 111.506 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.94 75.81 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.275 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -74.33 131.64 41.33 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.85 0.833 . . . . 0.0 111.996 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.534 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 9.4 t -112.28 172.3 6.99 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 103' ' ' LEU . 1.6 mm? -53.99 -57.03 12.55 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.792 0.837 . . . . 0.0 111.284 -173.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 t -58.92 -31.0 68.24 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.03 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.87 -36.16 21.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.016 0.436 . . . . 0.0 110.877 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.18 -34.56 78.3 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -58.42 -35.24 71.77 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 16.2 t70 -77.46 -27.4 52.07 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.246 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 1.67 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 50.5 m-85 -70.45 -20.63 62.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.119 0.485 . . . . 0.0 110.167 176.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.38 -50.14 6.51 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 108' ' ' ASP . 20.9 ttmm . . . . . 0 C--O 1.257 1.477 0 C-N-CA 125.502 1.521 . . . . 0.0 111.833 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -54.2 -41.92 69.15 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.116 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -49.98 -53.48 26.22 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.88 1.272 . . . . 0.0 111.241 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -32.42 44.03 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.83 -49.3 68.7 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.7 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.56 -46.81 87.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.309 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.22 -29.47 75.37 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.71 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 1.627 ' HE1' ' CE2' ' A' ' 125' ' ' TYR . 24.9 t80 -72.34 -31.54 65.73 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.641 -0.329 . . . . 0.0 110.354 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 87.9 mtp -54.3 -30.23 50.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.155 0.582 . . . . 0.0 112.311 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -63.38 -18.73 63.99 Favored 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 123.892 0.877 . . . . 0.0 111.76 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 1.606 ' HD1' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -72.52 -12.87 61.26 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.849 -1.157 . . . . 0.0 110.838 -179.173 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.7 mmm180 -64.46 -21.34 66.63 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.23 6.85 31.12 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.511 0.672 . . . . 0.0 110.129 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 1.65 ' HE2' ' CE1' ' A' ' 131' ' ' TYR . 66.5 t80 -105.39 -38.66 6.41 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.156 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 177.073 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.619 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.44 173.3 14.71 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.354 2.036 . . . . 0.0 110.607 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.28 165.26 34.81 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -153.37 160.1 42.58 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.8 p -73.09 125.67 28.21 Favored 'General case' 0 N--CA 1.428 -1.531 0 O-C-N 123.099 0.249 . . . . 0.0 110.615 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.521 ' CG ' ' HZ3' ' A' ' 69' ' ' LYS . 30.1 t70 -59.53 -16.75 26.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.874 0.87 . . . . 0.0 112.536 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -52.32 -26.24 11.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.356 1.062 . . . . 0.0 112.231 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.657 ' HD1' ' CD2' ' A' ' 68' ' ' PHE . 97.1 m-85 -80.05 64.79 5.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.74 0.781 . . . . 0.0 109.575 175.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.521 ' HZ3' ' CG ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -89.24 76.72 7.6 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.15 0.976 . . . . 0.0 108.723 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -146.08 49.99 1.18 Allowed 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -25.57 68.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.412 -176.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.571 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -55.35 -31.78 62.01 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.416 172.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 77' ' ' LYS . . . -79.1 -20.03 49.72 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.302 -0.249 . . . . 0.0 110.777 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.02 17.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.1 t -56.82 -44.11 81.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.45 175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.61 -25.31 64.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 48.5 mmtm -75.6 -42.79 50.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.3 mtt -62.34 -48.3 80.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HA ' HG23 ' A' ' 121' ' ' VAL . . . -55.01 -52.89 61.74 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.608 -177.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.428 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -65.94 -22.38 66.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' C ' ' HZ2' ' A' ' 88' ' ' LYS . . . -83.82 -41.52 17.44 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.891 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.77 -37.71 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 80' ' ' LYS . 25.4 ptm -69.84 -13.54 62.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -95.95 -61.8 1.39 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.517 ' CG ' ' HZ3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -116.16 132.42 23.27 Favored Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.326 -179.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -94.67 10.05 1.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.755 2.304 . . . . 0.0 111.86 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -77.7 -51.99 9.69 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.328 0.585 . . . . 0.0 110.125 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.517 ' HZ3' ' CG ' ' A' ' 85' ' ' ASP . 0.9 OUTLIER -87.24 -7.08 58.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.482 0.658 . . . . 0.0 110.544 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.87 -44.7 74.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.596 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 38.4 t70 -65.19 -35.01 79.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -175.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 18.8 t70 -60.26 -38.36 83.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.728 176.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.6 t -75.53 -28.16 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.644 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 22.1 m-30 -63.54 -45.48 90.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.614 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -67.73 -36.87 81.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.661 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 91' ' ' ASP . 42.7 mmtm -56.39 -31.64 64.05 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 123.645 0.591 . . . . 0.0 111.521 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.494 ' CH2' HD11 ' A' ' 106' ' ' LEU . 4.6 m95 -68.54 -37.46 79.99 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.64 -32.78 41.68 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 121.637 0.732 . . . . 0.0 109.029 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.531 ' CG ' ' HZ2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -70.18 -22.92 62.9 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.077 1.351 . . . . 0.0 111.948 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HZ2' ' CG ' ' A' ' 98' ' ' ASP . 20.0 mmtm -106.04 4.66 29.52 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.95 -6.24 81.84 Favored Glycine 0 C--N 1.311 -0.832 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.833 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.415 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 85.4 m-85 -61.1 134.65 57.27 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.989 0.395 . . . . 0.0 110.176 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.5 m -127.43 89.44 2.96 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.9 tp 31.8 -79.68 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.127 2.571 . . . . 0.0 116.905 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -59.16 -22.44 60.94 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.427 0.691 . . . . 0.0 111.652 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.442 ' HG2' ' CE2' ' A' ' 109' ' ' PHE . 62.0 tt0 -62.18 -23.34 66.55 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.505 1.122 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.494 HD11 ' CH2' ' A' ' 96' ' ' TRP . 64.4 tp -62.56 -22.9 66.69 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.38 0.672 . . . . 0.0 110.646 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 111' ' ' LYS . 19.1 m -65.44 -28.02 68.94 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.453 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.59 -36.3 24.03 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.263 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.442 ' CE2' ' HG2' ' A' ' 105' ' ' GLN . 21.3 m-85 -69.38 -44.62 71.13 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.889 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 118' ' ' TYR . 70.3 mt -99.52 -22.49 15.46 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 107' ' ' SER . 12.3 mptt 68.35 29.77 5.74 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.374 1.083 . . . . 0.0 110.102 -172.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 p -76.01 45.28 0.34 Allowed 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 126.255 1.822 . . . . 0.0 112.3 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 -32.58 5.98 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 172.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.1 m -82.95 165.64 19.54 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 102.03 3.85 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.71 169.87 19.36 Favored Glycine 0 N--CA 1.422 -2.266 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -70.9 -18.47 62.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.211 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.656 ' HD1' ' CD2' ' A' ' 118' ' ' TYR . 36.9 m-85 -72.1 25.47 0.05 OUTLIER 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -176.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -53.44 -63.18 1.23 Allowed 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.024 0.929 . . . . 0.0 113.282 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -55.02 -41.32 71.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.959 0.903 . . . . 0.0 112.268 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.508 HG23 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -74.67 -38.32 44.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.807 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -62.73 -48.36 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -40.68 94.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.684 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.17 -42.71 97.29 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.961 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -71.86 -22.93 61.45 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.41 -39.97 85.15 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.749 -0.595 . . . . 0.0 109.625 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.471 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 11.3 m -68.01 -18.53 64.74 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 114.526 -1.215 . . . . 0.0 113.331 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.525 ' CB ' ' HB3' ' A' ' 93' ' ' TYR . 2.9 p90 -69.27 -25.69 64.39 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 117.77 -1.572 . . . . 0.0 111.151 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.551 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -76.45 -9.44 58.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 9.7 m-20 -83.78 -15.41 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -109.76 -37.63 5.6 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.551 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 5.2 m . . . . . 0 C--N 1.325 -0.481 0 C-N-CA 123.73 0.812 . . . . 0.0 110.417 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.631 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.95 46.93 1.29 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 122.387 2.058 . . . . 0.0 109.184 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.89 -154.89 16.45 Favored Glycine 0 N--CA 1.411 -2.999 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.2 mt 68.36 -67.64 0.19 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.661 1.584 . . . . 0.0 112.369 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 p -85.62 -36.78 20.13 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 123.685 0.794 . . . . 0.0 112.043 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 -76.3 0.61 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.998 -1.001 . . . . 0.0 113.379 -172.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.24 -33.32 69.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 121.63 0.729 . . . . 0.0 111.262 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -90.84 21.1 4.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.467 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 40.7 mmtm 81.25 118.95 0.05 Allowed 'General case' 0 C--O 1.247 0.971 0 C-N-CA 126.375 1.87 . . . . 0.0 115.19 169.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -82.7 130.0 35.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.525 ' OE1' ' HA ' ' A' ' 71' ' ' GLU 0.347 0.0 OUTLIER 46.84 58.41 4.75 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -177.374 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -68.42 -27.09 65.89 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.713 174.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.718 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -74.33 -34.62 63.48 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.53 85.91 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 120.998 0.427 . . . . 0.0 109.859 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 71' ' ' GLU . 55.6 t -60.93 -43.52 96.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.503 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.475 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 57.1 mtpt -70.98 -22.39 62.19 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.718 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 64.0 mttp -61.81 -46.52 89.14 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.4 mtp -76.01 -37.58 58.27 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.251 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.64 92.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.073 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -33.85 72.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.558 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.62 -27.3 62.07 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.357 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.0 mt -76.62 -35.33 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.583 0.706 . . . . 0.0 109.442 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.44 -32.67 73.57 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.766 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.12 -37.1 16.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.489 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.55 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 1.6 t70 -136.19 116.02 11.11 Favored Pre-proline 0 N--CA 1.441 -0.883 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.484 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -91.12 3.66 4.38 Favored 'Trans proline' 0 N--CA 1.444 -1.433 0 C-N-CA 122.753 2.302 . . . . 0.0 113.677 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -69.24 -47.66 64.1 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.017 0.437 . . . . 0.0 111.019 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.55 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.66 -3.57 59.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.492 0.663 . . . . 0.0 111.926 -177.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.71 -47.88 15.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.726 -1.124 . . . . 0.0 113.353 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.68 -40.91 92.86 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.564 0.221 . . . . 0.0 111.458 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.58 -41.03 69.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.453 0.701 . . . . 0.0 109.478 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.31 -34.71 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.856 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HD1' ' A' ' 125' ' ' TYR . 18.6 m-30 -63.71 -44.85 92.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -40.6 94.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.727 176.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.2 tmtm? -69.6 -34.09 73.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.921 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.434 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.8 m0 -72.3 -31.39 65.66 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 122.152 -0.342 . . . . 0.0 111.352 176.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.81 83.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.582 ' CG ' ' HZ2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -57.34 -25.11 58.89 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.524 1.13 . . . . 0.0 111.514 173.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HZ2' ' CG ' ' A' ' 98' ' ' ASP . 12.8 mmtm -105.72 3.07 28.55 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.68 16.11 80.85 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.286 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 1.629 ' HD1' ' CD2' ' A' ' 101' ' ' TYR . 66.4 m-85 -64.81 131.0 45.58 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.062 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.515 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 20.8 p -114.39 143.82 44.29 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.162 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -47.83 -40.91 22.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.265 1.026 . . . . 0.0 112.264 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -63.94 -37.4 87.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.983 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -84.75 -32.46 23.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 3.2 tm? -58.18 -35.44 71.6 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.023 0.929 . . . . 0.0 109.326 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.9 m -57.87 -35.8 71.47 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.26 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.74 -36.73 23.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 61.6 m-85 -58.08 -49.18 77.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.539 0.685 . . . . 0.0 110.687 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.37 -34.21 36.64 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.683 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? 67.09 33.78 5.44 Favored 'General case' 0 C--O 1.249 1.061 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 p -79.31 -64.23 1.23 Allowed 'General case' 0 N--CA 1.423 -1.813 0 CA-C-N 113.525 -1.67 . . . . 0.0 113.549 -172.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 86.57 175.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.588 1.955 . . . . 0.0 109.265 -169.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -76.38 11.55 1.53 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.942 0.897 . . . . 0.0 113.248 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -169.15 146.13 3.54 Favored 'General case' 0 C--O 1.246 0.899 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . 128.84 -121.89 3.75 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 118.7 -1.714 . . . . 0.0 115.964 172.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.491 ' HD2' ' H ' ' A' ' 117' ' ' LYS . 1.1 mptt -70.39 -62.17 1.49 Allowed 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 122.181 0.991 . . . . 0.0 110.813 -171.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -92.53 26.84 2.49 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.112 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 116' ' ' GLY . 11.8 t70 -45.27 -48.11 12.91 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 126.312 1.845 . . . . 0.0 110.545 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -59.81 -56.41 22.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.942 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.14 -36.63 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.969 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.646 ' HD2' ' CD1' ' A' ' 122' ' ' TYR . 77.1 t80 -71.84 -53.51 13.04 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -176.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -36.39 80.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.26 76.62 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.435 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.486 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 50.2 t80 -59.2 -35.59 73.85 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.369 0.668 . . . . 0.0 112.158 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -49.31 -36.47 21.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.36 0.664 . . . . 0.0 112.051 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -58.81 -19.65 43.09 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.237 1.015 . . . . 0.0 112.025 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 1.602 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -69.87 -13.58 62.33 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.737 -0.602 . . . . 0.0 110.481 -178.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmm180 -65.29 -23.64 67.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.43 20.37 19.01 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.978 0.894 . . . . 0.0 108.657 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -122.89 -39.03 2.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.614 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 63.0 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.264 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.348 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.45 100.65 0.68 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.185 1.923 . . . . 0.0 110.651 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.13 -81.11 1.55 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.96 127.11 32.01 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.457 0.646 . . . . 0.0 109.903 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.1 m -129.69 105.92 8.37 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.662 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.22 156.21 42.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.9 tp -144.13 8.23 1.41 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.173 0.987 . . . . 0.0 108.807 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.599 ' HD1' ' CD2' ' A' ' 68' ' ' PHE . 64.0 t80 -116.14 33.02 5.76 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.203 -173.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.533 ' HB2' ' OE1' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -101.69 -169.19 1.65 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -96.47 16.21 19.27 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.533 ' OE1' ' HB2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.28 -42.35 72.19 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.947 -0.471 . . . . 0.0 111.589 -174.741 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' HG2' ' OE2' ' A' ' 71' ' ' GLU . 2.0 ptpp? -59.81 -36.12 76.12 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.162 0.506 . . . . 0.0 111.252 174.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.34 -18.9 61.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.913 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.11 -53.33 5.34 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.49 -36.78 66.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.996 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 66.7 mttm -56.0 -31.01 62.68 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -41.17 79.35 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.3 -42.62 75.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' HA ' HG23 ' A' ' 121' ' ' VAL . . . -60.19 -52.13 66.61 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.656 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB2' ' HZ2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -68.22 -21.28 64.85 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 120.88 0.371 . . . . 0.0 111.88 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.19 65.18 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.925 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.29 -35.58 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.703 0.763 . . . . 0.0 109.407 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.21 -29.2 63.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.468 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.46 -54.85 3.11 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.52 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.7 t70 -110.73 126.8 28.06 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.922 -175.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -93.1 -7.83 2.48 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 122.581 2.187 . . . . 0.0 113.465 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -66.48 -42.9 86.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 121.153 0.501 . . . . 0.0 111.99 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.52 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -87.68 -4.91 58.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.23 -50.26 39.3 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.08 -46.72 45.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.565 0.746 . . . . 0.0 112.147 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.17 -42.81 99.63 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.626 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.17 -35.87 65.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.733 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.76 -52.87 62.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.27 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -66.75 -31.87 72.79 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.179 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.423 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 3.3 ttmp? -72.74 -43.11 63.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.926 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -61.93 -35.45 78.46 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.652 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.93 82.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.392 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.54 -30.02 61.59 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.238 0.542 . . . . 0.0 110.553 -178.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -82.99 0.04 46.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.717 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.47 14.45 78.37 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.914 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.01 114.09 17.67 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.396 1.093 . . . . 0.0 110.952 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.506 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.6 p -94.18 156.24 16.65 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.83 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.9 tp -48.94 -41.73 34.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.803 0.841 . . . . 0.0 111.675 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.7 t -66.19 -31.77 72.8 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.794 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.39 -38.15 42.38 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.66 -31.64 69.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.557 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.7 m -59.15 -33.85 71.39 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.576 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.487 ' HA ' ' HZ1' ' A' ' 111' ' ' LYS . 30.6 t70 -70.72 -45.82 64.19 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.783 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.662 ' HE1' ' CE2' ' A' ' 109' ' ' PHE . 16.9 m-85 -65.21 -34.67 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.284 0.99 . . . . 0.0 110.844 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.65 -42.13 18.56 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.755 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.511 ' HB3' ' NZ ' ' A' ' 111' ' ' LYS . 3.3 ttpm? -48.24 115.08 1.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.062 0.945 . . . . 0.0 111.872 176.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.0 m -154.58 165.81 35.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -75.13 79.6 2.28 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 121.464 0.649 . . . . 0.0 112.651 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.5 t -167.05 179.87 4.98 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -81.41 158.75 24.51 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -65.33 88.29 0.1 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.54 -20.9 19.81 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 123.991 0.916 . . . . 0.0 110.573 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -75.13 26.65 0.09 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.346 1.058 . . . . 0.0 113.722 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -50.24 -63.13 1.21 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.16 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -85.14 -48.26 16.48 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.243 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.265 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.653 ' HD2' ' CD1' ' A' ' 122' ' ' TYR . 81.4 t80 -79.84 -54.65 5.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -64.56 -36.69 85.02 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 123.658 0.783 . . . . 0.0 109.935 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.79 -38.95 86.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.983 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.41 -26.81 64.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 122.672 -0.311 . . . . 0.0 111.002 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 48.6 ttm -51.77 -36.45 47.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.82 0.848 . . . . 0.0 112.059 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.6 m -60.16 -18.07 45.28 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 124.244 1.018 . . . . 0.0 112.826 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.506 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -67.32 -16.7 64.41 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 120.713 -1.242 . . . . 0.0 110.613 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -75.41 -12.33 60.23 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.279 0.631 . . . . 0.0 112.042 -178.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.02 -6.96 58.95 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -118.92 -36.34 3.45 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.65 -178.708 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.712 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -80.3 -175.32 2.64 Favored 'Trans proline' 0 C--O 1.243 0.745 0 C-N-CA 122.116 1.877 . . . . 0.0 110.139 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 71.98 1.89 Allowed Glycine 0 C--O 1.218 -0.863 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -141.2 -35.71 0.46 Allowed 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.032 0.444 . . . . 0.0 110.205 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.5 m -143.92 -75.03 0.25 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.134 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -103.42 135.99 44.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -83.13 98.8 9.52 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 120.733 0.301 . . . . 0.0 111.051 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 96.0 m-85 58.2 -171.15 0.11 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 111.369 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 63.7 mttm -148.1 75.32 1.33 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.187 0.518 . . . . 0.0 109.828 175.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -72.06 -15.44 62.02 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.75 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.531 ' O ' HG21 ' A' ' 75' ' ' VAL . 9.7 tp10 -51.62 -30.66 22.2 Favored 'General case' 0 C--O 1.189 -2.086 0 C-N-CA 124.985 1.314 . . . . 0.0 112.494 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 13.7 ptpt -55.31 -33.36 63.23 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.42 -23.19 53.98 Favored 'General case' 0 C--O 1.263 1.787 0 CA-C-O 121.583 0.706 . . . . 0.0 110.518 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -34.41 22.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.782 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 71' ' ' GLU . 89.5 t -54.98 -55.49 15.77 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.588 0 O-C-N 123.753 0.658 . . . . 0.0 110.033 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.44 -27.98 67.93 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.534 ' HB2' ' HZ2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -73.65 -44.62 56.31 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -79.9 -25.84 40.43 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.181 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HA ' HG23 ' A' ' 121' ' ' VAL . . . -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.295 0.638 . . . . 0.0 109.949 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -37.32 85.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.591 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.16 68.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.468 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.22 -38.81 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-O 120.966 0.412 . . . . 0.0 111.225 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.0 ttp -65.47 -25.42 67.49 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 111.666 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.21 -38.83 16.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.511 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -149.28 122.29 4.45 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.259 0.623 . . . . 0.0 110.729 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.23 12.17 2.36 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.769 2.313 . . . . 0.0 114.009 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -69.44 -32.84 72.04 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.721 -0.612 . . . . 0.0 111.685 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.38 -7.05 57.29 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 121.865 -0.522 . . . . 0.0 111.342 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 93' ' ' TYR . . . -47.73 -59.51 3.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -46.97 -49.75 20.18 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.04 -35.3 71.92 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.782 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.407 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 57.9 t -67.07 -33.63 64.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.653 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 17.1 m-30 -67.9 -42.25 81.44 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -45.7 86.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.745 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.99 -17.57 63.29 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.851 -179.313 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.402 ' NE1' HG23 ' A' ' 75' ' ' VAL . 12.3 m0 -81.59 -27.52 34.23 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.493 0.187 . . . . 0.0 111.054 174.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.64 92.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.7 -33.19 66.21 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.8 1.24 . . . . 0.0 111.276 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 44.9 mmtm -82.25 -3.63 55.55 Favored 'General case' 0 C--O 1.255 1.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.935 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.34 35.94 18.89 Favored Glycine 0 N--CA 1.432 -1.606 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.913 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -104.76 117.05 33.11 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.612 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.537 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.7 m -109.31 89.41 2.99 Favored 'General case' 0 N--CA 1.424 -1.754 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.695 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.6 tp 57.13 -78.23 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -63.39 -24.92 68.05 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 124.573 1.149 . . . . 0.0 113.243 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -63.22 -21.23 66.09 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.674 0.789 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 125' ' ' TYR . 18.0 tp -64.12 -18.59 64.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.974 0.416 . . . . 0.0 110.573 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.2 m -63.14 -33.25 75.06 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.141 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.32 -39.32 33.1 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.464 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.65 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 16.8 m-85 -67.08 -46.5 74.07 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.168 -177.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.68 -32.75 31.62 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.025 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 74.56 28.89 1.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 108.279 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.2 m -141.18 141.76 34.07 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.234 -1.348 . . . . 0.0 107.58 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.477 ' HG3' ' OH ' ' A' ' 122' ' ' TYR . 52.2 tttp -142.02 101.94 4.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.3 m 73.09 -48.97 0.69 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.32 1.048 . . . . 0.0 110.902 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -105.46 125.03 50.53 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.61 -171.17 37.52 Favored Glycine 0 N--CA 1.432 -1.61 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 119' ' ' ASP 0.286 4.3 mmmp? -92.76 -18.84 22.42 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.619 ' HD2' ' CD1' ' A' ' 118' ' ' TYR . 99.3 m-85 -81.27 26.77 0.44 Allowed 'General case' 0 C--N 1.293 -1.874 0 O-C-N 123.964 0.79 . . . . 0.0 110.749 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -36.99 -63.5 0.42 Allowed 'General case' 0 C--O 1.247 0.931 0 C-N-CA 126.63 1.972 . . . . 0.0 114.439 -178.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -65.09 -41.2 95.21 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -75.28 -36.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.032 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.631 ' HD1' ' CD2' ' A' ' 122' ' ' TYR . 76.6 t80 -65.81 -57.83 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.085 0.469 . . . . 0.0 110.694 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.92 -23.46 61.47 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.872 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.33 -33.93 68.7 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 1.621 ' HD1' ' CD2' ' A' ' 125' ' ' TYR . 57.4 t80 -63.92 -32.15 73.58 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.632 0.773 . . . . 0.0 110.832 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -48.98 -39.06 25.09 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 0.0 112.412 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -55.19 -20.17 9.82 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.966 1.307 . . . . 0.0 113.151 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 1.1 p90 -74.5 -14.07 60.77 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.185 -0.947 . . . . 0.0 110.503 -177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -64.59 -20.21 66.12 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.77 2.85 56.53 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 123.616 0.573 . . . . 0.0 111.472 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 26.6 m-85 -107.16 -38.69 5.92 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.282 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -178.393 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.905 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -98.82 31.24 0.12 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.326 2.684 . . . . 0.0 111.085 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.73 172.73 15.18 Favored Glycine 0 N--CA 1.435 -1.431 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -82.2 -39.42 23.16 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.829 0.315 . . . . 0.0 110.91 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.6 m -62.65 -50.03 72.82 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.479 0.656 . . . . 0.0 110.12 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -113.74 81.02 1.45 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD22 ' H ' ' A' ' 67' ' ' LEU . 2.3 pt? -90.85 0.89 57.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.642 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.665 ' HD2' ' CD1' ' A' ' 68' ' ' PHE . 93.3 m-85 -78.49 167.44 21.29 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.823 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.73 11.21 1.63 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.229 176.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -92.75 -159.12 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.566 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -44.97 -48.23 11.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -66.0 -27.84 68.43 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.255 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 -19.41 24.1 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.687 0.756 . . . . 0.0 110.031 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.35 -46.1 18.31 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.552 0.741 . . . . 0.0 110.55 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.28 -34.2 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.524 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 62.6 mttp -61.03 -27.49 68.37 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.831 0.348 . . . . 0.0 111.398 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -65.67 -43.62 88.76 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.767 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -80.74 -32.5 35.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 121' ' ' VAL . . . -53.44 -59.29 4.77 Favored 'General case' 0 C--O 1.205 -1.281 0 O-C-N 123.772 0.67 . . . . 0.0 110.196 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -63.5 -22.29 66.81 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.439 0.638 . . . . 0.0 111.988 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.04 44.3 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 120.981 0.42 . . . . 0.0 110.161 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 76.8 mt -83.23 -31.23 8.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.438 ' SD ' ' HA ' ' A' ' 117' ' ' LYS . 11.8 ttt -44.69 -42.29 7.45 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.997 1.319 . . . . 0.0 110.761 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.27 -61.5 1.64 Allowed 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.113 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.488 ' OD2' ' HB3' ' A' ' 88' ' ' LYS . 6.6 t70 -99.0 118.09 63.28 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.72 -0.7 4.45 Favored 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.877 2.385 . . . . 0.0 112.993 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -75.29 -50.19 16.85 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.553 ' HZ3' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -70.28 -6.04 32.1 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.844 0.83 . . . . 0.0 112.488 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.06 -36.12 70.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.926 -176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.32 -50.54 72.6 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 122.811 0.444 . . . . 0.0 111.8 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.35 -50.58 64.73 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.2 0.6 . . . . 0.0 111.397 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.92 -33.33 60.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.639 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.669 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 3.0 m-85 -64.24 -37.04 86.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.086 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.668 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -73.78 -40.86 63.13 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.997 177.12 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 8.8 tmtt? -60.07 -33.6 72.29 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.915 0.76 . . . . 0.0 109.442 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 101' ' ' TYR . 12.1 m0 -68.39 -47.9 66.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.739 -0.785 . . . . 0.0 111.961 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.05 76.94 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.013 0.435 . . . . 0.0 110.357 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.597 ' CG ' ' HZ2' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -51.81 -38.91 57.63 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.993 1.717 . . . . 0.0 113.152 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' TYR . 27.8 mmtm -106.67 2.7 26.06 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.01 70.38 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.308 -0.948 . . . . 0.0 112.684 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.629 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 96.6 m-85 -57.09 114.2 2.03 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.2 m -95.34 142.12 28.11 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.074 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -45.42 -38.23 5.84 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.93 1.292 . . . . 0.0 113.643 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.7 t -64.67 -30.51 71.53 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.2 -28.63 25.31 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.518 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 1.6 tm? -61.13 -39.65 90.82 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.7 t -64.0 -19.04 64.88 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.245 0.618 . . . . 0.0 111.949 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.86 -35.72 29.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.505 0.669 . . . . 0.0 109.287 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 6.8 m-85 -71.72 -48.02 49.99 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.169 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.58 34.34 1.86 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.033 0.933 . . . . 0.0 110.312 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -60.38 -44.44 95.64 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.372 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.4 m -61.35 154.02 25.12 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -128.7 135.72 49.63 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.28 0.562 . . . . 0.0 111.454 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.477 ' HB ' ' CB ' ' A' ' 117' ' ' LYS . 24.2 m -154.95 136.38 14.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -65.51 115.33 5.63 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.822 0.701 . . . . 0.0 111.74 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.52 -5.2 73.85 Favored Glycine 0 N--CA 1.445 -0.707 0 O-C-N 123.838 0.711 . . . . 0.0 111.642 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.477 ' CB ' ' HB ' ' A' ' 114' ' ' THR . 3.0 tmtp? -93.58 -52.01 4.68 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.013 0.435 . . . . 0.0 111.239 -173.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.647 ' HE2' ' CE1' ' A' ' 118' ' ' TYR . 82.8 m-85 -110.38 -31.53 7.26 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.782 -173.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -62.79 1.43 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.23 0.956 . . . . 0.0 111.828 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -47.67 -46.37 29.08 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.664 0.602 . . . . 0.0 111.355 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 79' ' ' ALA 0.345 12.7 t -66.16 -54.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.379 0.0 OUTLIER -85.03 -21.16 29.53 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 116.884 -1.927 . . . . 0.0 114.867 -177.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.14 76.7 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.28 50.05 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 1.669 ' HD2' ' CD1' ' A' ' 125' ' ' TYR . 48.9 t80 -60.89 -44.42 97.12 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.2 ptp -55.12 -22.79 18.05 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -59.6 -19.45 48.99 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.84 0.856 . . . . 0.0 111.226 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 1.655 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 0.6 OUTLIER -67.32 -15.31 63.61 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.634 -0.666 . . . . 0.0 110.551 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 6.2 mmm180 -66.69 -26.24 66.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.49 9.07 41.4 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.413 0.625 . . . . 0.0 109.928 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 1.608 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 80.8 t80 -120.75 -36.73 3.11 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.738 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.77 179.583 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 100' ' ' GLY . . . . . . . . 0 CA--C 1.501 -0.795 0 CA-C-O 119.053 -0.86 . . . . 0.0 111.638 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.49 -42.24 10.12 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 122.903 2.402 . . . . 0.0 113.513 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.76 131.42 34.22 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.28 69.48 2.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.923 0.868 . . . . 0.0 112.674 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -154.56 85.27 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -148.49 -169.04 3.25 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.73 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt 71.06 -66.76 0.28 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.172 1.389 . . . . 0.0 110.003 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.667 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 86.7 m-85 -90.26 76.69 6.78 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -80.55 102.19 9.61 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.465 -170.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -96.59 175.68 6.3 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.41 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' O ' HG21 ' A' ' 75' ' ' VAL . 36.6 mt-10 72.71 2.21 4.28 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -53.31 -39.8 64.31 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.45 -18.87 59.76 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.154 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -33.89 22.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 71' ' ' GLU . 71.8 t -53.91 -37.8 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.279 0.632 . . . . 0.0 110.608 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 109' ' ' PHE . 35.8 mtmt -65.85 -17.95 65.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.61 -41.62 62.56 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.456 ' O ' HG12 ' A' ' 82' ' ' ILE . 97.0 mmm -77.68 -33.64 53.24 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.816 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.33 79.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -60.03 -38.68 83.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.158 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.59 -30.85 64.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.008 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 78' ' ' MET . 46.7 mm -72.38 -38.24 60.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.742 0.782 . . . . 0.0 108.901 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.4 ttm -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.383 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.53 -55.56 4.6 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.888 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.579 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.0 t70 -122.77 125.34 26.4 Favored Pre-proline 0 C--O 1.247 0.97 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.292 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -93.15 -1.92 3.46 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 122.843 2.362 . . . . 0.0 113.418 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -71.59 -45.52 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -86.72 -5.63 59.06 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.622 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 82' ' ' ILE . . . -54.75 -37.69 66.24 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.45 -49.0 68.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.381 0.426 . . . . 0.0 111.925 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -53.83 -47.4 70.96 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.477 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.0 t -71.44 -29.97 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.083 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.636 -174.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.664 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 20.4 m-30 -66.06 -39.85 90.42 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.351 0.595 . . . . 0.0 109.752 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -30.42 45.8 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.862 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 4.8 tmtm? -71.17 -21.72 62.13 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 27.1 m0 -82.49 -31.32 29.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.908 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.49 87.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.187 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 2.4 p30 -67.27 -30.37 70.23 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.078 0.466 . . . . 0.0 111.402 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -80.46 -5.34 56.44 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.663 0.744 . . . . 0.0 110.42 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.415 ' O ' ' HA3' ' A' ' 61' ' ' GLY . . . 78.54 33.68 37.93 Favored Glycine 0 N--CA 1.408 -3.175 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.276 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.79 155.47 19.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.457 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 59.3 m -148.13 152.75 37.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.7 tp -45.07 -47.92 11.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.267 1.027 . . . . 0.0 113.083 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -65.68 -27.22 68.2 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 120.981 0.42 . . . . 0.0 112.007 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.584 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' A' ' 125' ' ' TYR . 16.0 tp -67.13 -29.5 69.24 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 111' ' ' LYS . 2.7 m -58.74 -29.35 66.67 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.188 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -85.78 -41.23 15.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.184 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 14.6 m-30 -63.53 -50.15 70.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.034 0.445 . . . . 0.0 111.698 -175.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 6.5 mp -79.69 -30.55 41.13 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 121.94 0.876 . . . . 0.0 108.893 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 107' ' ' SER . 4.5 tptp 73.42 78.06 0.13 Allowed 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 112.321 -2.218 . . . . 0.0 111.611 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 m -64.16 113.6 3.65 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 114.27 -1.332 . . . . 0.0 108.815 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 113' ' ' LYS . 4.0 tmtm? -161.3 -44.24 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.985 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -102.22 -13.07 17.56 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.214 0.531 . . . . 0.0 110.782 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 67.75 -73.35 0.08 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.776 1.23 . . . . 0.0 113.843 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.56 -14.85 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 C-N-CA 127.408 2.433 . . . . 0.0 118.897 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.745 ' NZ ' ' HA ' ' A' ' 117' ' ' LYS 0.311 0.1 OUTLIER -93.24 -47.3 6.99 Favored 'General case' 0 N--CA 1.406 -2.629 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 175.061 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -116.08 3.68 13.59 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -64.05 -30.13 71.22 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 118.975 0.807 . . . . 0.0 111.783 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -46.1 76.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.899 0.88 . . . . 0.0 109.473 174.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.9 -33.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.962 0.41 . . . . 0.0 111.201 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -59.89 -53.27 59.91 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.568 0.747 . . . . 0.0 110.494 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -62.42 -34.57 77.02 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.697 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.49 -37.93 86.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.688 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 1.613 ' HD2' ' CD1' ' A' ' 125' ' ' TYR . 77.7 t80 -69.26 -35.5 76.15 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.4 ttt -51.82 -37.49 52.01 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.498 0.719 . . . . 0.0 111.633 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.412 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 15.9 m -56.21 -18.84 11.43 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 124.765 1.226 . . . . 0.0 113.538 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.687 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -69.23 -18.44 63.88 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.642 -1.286 . . . . 0.0 111.232 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.633 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -71.54 -20.99 61.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.37 179.131 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 5.0 m-20 -84.02 -8.16 59.21 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.532 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.687 ' CE2' ' HA ' ' A' ' 128' ' ' TYR . 51.3 p90 -128.88 -37.2 1.74 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.505 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.891 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.61 80.96 2.79 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.833 1.689 . . . . 0.0 110.064 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.0 -167.91 13.17 Favored Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 tp -97.61 -85.66 0.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 m -135.99 10.29 3.32 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 122.77 1.271 . . . . 0.0 108.104 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' CG ' ' HZ2' ' A' ' 69' ' ' LYS . 7.6 p-10 -78.98 171.89 14.58 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.998 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.6 mt 59.15 -166.28 0.18 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.478 0.711 . . . . 0.0 111.679 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.604 ' HD2' ' CD1' ' A' ' 68' ' ' PHE . 92.2 m-85 -86.57 75.9 9.64 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.344 0.593 . . . . 0.0 110.82 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.437 ' HZ2' ' CG ' ' A' ' 66' ' ' ASP . 23.8 pttm -151.64 9.21 0.53 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.159 174.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -68.87 -25.06 64.44 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.413 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' HG21 ' A' ' 75' ' ' VAL . 49.2 mt-10 -77.34 8.71 3.83 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.503 ' HZ2' ' CG ' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -54.0 -29.93 45.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -173.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.33 -19.79 30.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.71 15.23 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG11 ' CZ2' ' A' ' 96' ' ' TRP . 78.1 t -54.38 -43.93 64.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.278 1.031 . . . . 0.0 112.229 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.81 -29.46 62.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -40.49 47.08 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.802 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.7 mmt -73.11 -26.18 61.14 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.495 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.99 82.3 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.63 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -69.35 -26.83 64.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.251 -0.98 . . . . 0.0 110.386 177.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.617 ' HA ' ' OD2' ' A' ' 85' ' ' ASP . . . -64.82 -24.32 67.51 Favored 'General case' 0 C--O 1.197 -1.678 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.851 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.48 -44.62 17.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.761 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.523 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 21.0 ptt? -82.71 -21.9 34.66 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -173.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.04 -40.95 6.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.773 0.321 . . . . 0.0 111.357 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.617 ' OD2' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -125.53 64.94 50.14 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.284 -176.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.92 1.58 2.24 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.946 3.097 . . . . 0.0 115.583 -168.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 t -69.46 -39.68 77.6 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.057 0.456 . . . . 0.0 109.782 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -88.67 -5.2 58.28 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.0 -41.4 11.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -50.12 -53.63 26.12 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -60.27 -25.98 66.12 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.874 0.369 . . . . 0.0 111.93 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.61 -43.35 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -61.46 -42.74 99.24 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 120.937 0.399 . . . . 0.0 110.53 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -23.67 59.44 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.457 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 12.8 tmtt? -78.51 -34.23 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.484 ' CZ2' HG11 ' A' ' 75' ' ' VAL . 38.9 m0 -75.5 -35.09 60.87 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.952 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.13 77.05 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.78 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.56 67.05 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -100.67 0.78 39.75 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.04 77.36 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.465 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -69.75 114.1 7.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.611 0.719 . . . . 0.0 109.53 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.505 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 18.0 p -100.63 166.33 10.95 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.648 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.21 -35.54 49.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.649 1.18 . . . . 0.0 112.967 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.7 t -74.72 -33.97 62.48 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.792 0.329 . . . . 0.0 111.435 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -83.1 -22.08 33.51 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.617 0.723 . . . . 0.0 109.133 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.424 HD12 ' CZ3' ' A' ' 96' ' ' TRP . 15.8 tp -64.92 -19.5 65.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.123 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 111' ' ' LYS . 41.1 t -69.28 -26.54 64.81 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.075 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.503 ' CG ' ' HZ2' ' A' ' 72' ' ' LYS . 31.1 t70 -84.91 -20.96 29.91 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.943 0.878 . . . . 0.0 110.054 177.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.643 ' HE2' ' CE1' ' A' ' 109' ' ' PHE . 18.0 m-85 -93.78 -50.12 5.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.91 -49.59 4.73 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 107' ' ' SER . 23.0 tptp -169.21 132.86 1.34 Allowed 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.897 -165.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m -62.48 90.3 0.03 OUTLIER 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.31 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 113' ' ' LYS 0.342 2.6 mptp? 78.74 96.33 0.06 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 176.222 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.664 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 6.5 m 43.87 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -85.57 154.72 21.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.235 -166.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 157.73 -129.6 2.38 Favored Glycine 0 C--O 1.209 -1.41 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.66 -29.93 32.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.54 . . . . 0.0 111.173 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.642 ' HE1' ' CE2' ' A' ' 118' ' ' TYR . 96.0 m-85 -100.91 25.52 7.91 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.46 -57.36 4.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.282 1.433 . . . . 0.0 111.926 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -58.74 -42.06 87.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.967 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -79.87 -43.07 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.542 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.664 ' CE1' ' HA ' ' A' ' 114' ' ' THR . 1.6 t80 -65.02 -60.88 2.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.187 0.595 . . . . 0.0 109.729 -176.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.779 0.832 . . . . 0.0 110.811 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.12 72.41 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.567 ' O ' ' HD2' ' A' ' 128' ' ' TYR . 16.4 m-85 -71.09 -22.63 62.08 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 52.1 ttm -48.77 -34.01 11.42 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 m -68.67 -24.57 64.53 Favored 'General case' 0 C--O 1.196 -1.76 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 1.639 ' HD1' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -70.94 -12.31 61.46 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-N 118.459 0.572 . . . . 0.0 111.555 -174.186 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 6.6 mmm180 -60.47 -5.86 1.36 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -174.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.24 -17.88 17.12 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 118.226 0.466 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 1.661 ' HD1' ' CD2' ' A' ' 131' ' ' TYR . 38.0 m-85 -101.14 -37.65 8.48 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.242 0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.099 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.987 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.2 -43.39 47.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 CA-C-N 119.938 1.869 . . . . 0.0 107.837 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.28 115.05 4.2 Favored Glycine 0 N--CA 1.419 -2.447 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -172.41 -52.82 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -86.04 88.78 7.64 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.153 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.551 ' CG ' ' HZ2' ' A' ' 69' ' ' LYS . 14.4 t0 -84.5 114.97 22.33 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.667 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.87 -3.46 58.7 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.892 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -99.04 7.54 45.84 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.256 0.55 . . . . 0.0 109.627 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HZ2' ' CG ' ' A' ' 66' ' ' ASP . 41.6 mmtm -114.0 19.51 16.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.463 ' OG1' ' HG2' ' A' ' 72' ' ' LYS 0.353 13.3 t 59.16 136.42 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.463 2.305 . . . . 0.0 115.116 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -21.23 62.13 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.235 -1.348 . . . . 0.0 112.54 -177.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 48.8 mmtt -65.34 -46.47 80.11 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.07 60.38 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.325 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.97 -56.62 3.47 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.93 -36.35 77.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -67.97 -17.66 64.5 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.52 -39.04 58.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.9 mtt -74.76 -37.45 62.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' A' ' 121' ' ' VAL . . . -58.31 -40.55 82.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.032 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -35.46 76.25 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.243 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.45 -39.81 81.34 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.623 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 57.6 mt -79.31 -23.0 12.41 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 CA-C-O 122.043 0.925 . . . . 0.0 110.463 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -64.96 -22.33 66.98 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.728 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.82 -55.73 2.37 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.496 0.665 . . . . 0.0 109.475 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.59 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 24.5 t0 -98.9 112.38 62.73 Favored Pre-proline 0 C--N 1.311 -1.086 0 C-N-CA 124.555 1.142 . . . . 0.0 110.566 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -95.9 5.83 1.97 Allowed 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 122.479 2.12 . . . . 0.0 112.878 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 t -92.63 -35.77 13.35 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 109.954 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -8.41 59.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.16 0.505 . . . . 0.0 110.352 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.96 63.25 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -171.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.27 -50.3 73.34 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -39.56 60.99 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.66 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.468 ' HB ' HD12 ' A' ' 82' ' ' ILE . 26.7 t -78.08 -38.54 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.839 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.644 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 16.6 m-30 -62.75 -48.2 80.24 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -43.07 81.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.381 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.9 ptpp? -78.46 -27.26 46.33 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.416 -178.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -62.41 -28.15 69.59 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.98 -38.72 79.51 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.315 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -28.23 48.69 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.421 0.629 . . . . 0.0 109.724 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -81.56 0.76 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.784 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.3 9.24 85.28 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.103 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -93.31 113.13 25.23 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -105.63 165.97 10.78 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.991 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.3 tp -43.91 -54.1 5.59 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.758 1.223 . . . . 0.0 112.543 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -60.84 -35.93 77.81 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.12 -27.44 26.24 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 121.055 0.455 . . . . 0.0 110.1 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.88 -27.55 66.76 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.896 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -64.26 -31.92 73.31 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.57 -52.97 62.9 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.371 0.668 . . . . 0.0 110.275 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.657 ' HD2' ' CD1' ' A' ' 109' ' ' PHE . 22.0 m-85 -69.02 -49.8 54.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.318 -175.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 121' ' ' VAL . 8.1 mp -75.31 -17.96 60.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -167.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 115' ' ' ARG . 47.1 mttp -87.09 166.71 14.8 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 t -177.88 115.65 0.08 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.461 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.9 tttm 66.25 -72.84 0.08 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.0 m -145.91 123.4 11.72 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.617 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 9.7 mmm180 65.84 -78.26 0.04 OUTLIER 'General case' 0 C--O 1.201 -1.484 0 O-C-N 124.276 0.985 . . . . 0.0 109.334 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.38 149.19 4.91 Favored Glycine 0 N--CA 1.424 -2.116 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 117' ' ' LYS . 13.0 tmtt? -73.16 -27.8 61.86 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.646 ' HE1' ' CE2' ' A' ' 118' ' ' TYR . 65.3 m-85 -114.99 25.86 10.59 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.403 177.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.56 -19.07 61.56 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.646 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -55.83 -54.35 45.63 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-O 121.344 0.592 . . . . 0.0 109.86 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 79' ' ' ALA . 2.9 p -69.4 -32.05 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.518 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.651 ' HE2' ' CE1' ' A' ' 122' ' ' TYR . 87.4 t80 -64.6 -52.01 59.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 111.233 176.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -32.53 74.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.12 -32.22 58.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.895 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.43 -31.51 72.23 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.275 1.03 . . . . 0.0 111.532 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.9 tpt -51.74 -28.48 15.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.076 0.95 . . . . 0.0 112.246 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.3 m -57.59 -23.76 52.61 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.81 0.844 . . . . 0.0 112.247 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.495 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -72.86 -17.73 61.5 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.711 -0.618 . . . . 0.0 111.212 -176.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.511 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -70.32 0.39 6.55 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.027 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -86.04 -26.76 25.18 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -117.67 -28.47 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.511 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 45.5 t . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.039 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -73.44 -12.67 25.07 Favored 'Trans proline' 0 N--CA 1.481 0.756 0 C-N-CA 122.788 2.325 . . . . 0.0 111.093 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.4 -179.63 28.15 Favored Glycine 0 N--CA 1.417 -2.629 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.47 95.49 9.3 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 117.326 0.563 . . . . 0.0 109.566 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -139.58 -18.37 0.97 Allowed 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.46 0.648 . . . . 0.0 109.608 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.78 -59.99 4.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.17 1.388 . . . . 0.0 111.007 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -103.86 98.8 8.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.269 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -73.64 78.19 1.51 Allowed 'General case' 0 C--O 1.244 0.798 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 109' ' ' PHE . 24.7 tttm 53.1 -161.28 0.11 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.544 1.937 . . . . 0.0 111.586 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.3 -50.48 1.53 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -174.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.2 9.74 1.89 Allowed 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -166.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.15 -41.47 62.6 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' O ' ' HD3' ' A' ' 77' ' ' LYS . . . -68.12 -29.38 68.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.771 0.319 . . . . 0.0 111.832 -176.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.76 -43.4 14.29 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.004 0.43 . . . . 0.0 109.983 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.437 HG11 ' CZ2' ' A' ' 96' ' ' TRP . 90.7 t -61.16 -35.2 64.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.621 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 28.7 mtpp -67.57 -24.0 65.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' A' ' 73' ' ' ALA . 5.3 mptp? -82.62 -35.13 27.29 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.281 0.562 . . . . 0.0 109.521 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.1 mmt -72.29 -26.51 61.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.248 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.1 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HD3' ' C ' ' A' ' 80' ' ' LYS . 11.6 tmtt? -61.19 -44.4 97.35 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.563 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -60.44 -23.88 64.76 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.418 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.5 -59.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.9 ttp -58.56 -45.06 89.79 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.231 -173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.52 -25.5 19.23 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 123.881 0.738 . . . . 0.0 112.015 -175.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 5.2 m-20 -112.75 79.99 3.56 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.1 -34.14 29.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.223 1.949 . . . . 0.0 114.959 -168.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -82.48 -18.41 41.76 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.646 0.736 . . . . 0.0 109.721 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.94 -15.08 37.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.699 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.83 -37.99 20.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.86 -38.61 88.91 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 120.639 0.256 . . . . 0.0 111.155 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -37.52 61.76 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.683 0.754 . . . . 0.0 110.961 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.402 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 18.9 t -81.8 -40.3 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.33 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -62.47 -48.89 77.62 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -43.02 99.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.178 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.0 ptpp? -75.18 -28.93 60.23 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.9 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.459 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 25.0 m0 -66.17 -23.48 66.47 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.756 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.89 66.58 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.426 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -24.93 56.08 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.483 0.659 . . . . 0.0 109.702 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -75.41 -6.68 51.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.387 175.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.89 7.53 64.33 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.459 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -77.23 114.11 15.69 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.233 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.7 24.6 10.93 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.201 1.4 . . . . 0.0 113.255 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.1 tp 62.79 73.64 0.46 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.331 1.062 . . . . 0.0 110.907 -174.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.63 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.196 -1.366 . . . . 0.0 109.766 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -58.83 -26.17 63.9 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.835 1.254 . . . . 0.0 112.09 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.585 HD23 ' CD2' ' A' ' 125' ' ' TYR . 23.4 tp -53.55 -33.12 53.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.11 0.964 . . . . 0.0 111.223 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -60.61 -33.03 72.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.436 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.44 -42.59 15.48 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.38 -0.528 . . . . 0.0 112.273 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.449 ' CZ ' ' HD3' ' A' ' 69' ' ' LYS . 36.8 m-85 -58.49 -48.93 79.18 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.902 0.858 . . . . 0.0 111.025 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.76 -47.55 52.9 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 84.61 127.05 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 126.879 2.072 . . . . 0.0 111.895 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.491 ' HB2' ' HD3' ' A' ' 115' ' ' ARG 0.256 94.9 p 68.18 19.74 9.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.985 1.714 . . . . 0.0 111.416 -174.343 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 67.73 -82.74 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 125.891 1.676 . . . . 0.0 115.282 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.4 m -130.17 24.61 5.23 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.971 0.891 . . . . 0.0 110.292 -171.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.491 ' HD3' ' HB2' ' A' ' 112' ' ' SER . 30.7 mtp-105 -78.49 95.12 5.08 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.167 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.49 -129.99 9.16 Favored Glycine 0 N--CA 1.42 -2.42 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.937 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 119' ' ' ASP . 12.5 tptp -69.3 -17.84 63.77 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -172.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.648 ' HE2' ' CE1' ' A' ' 118' ' ' TYR . 21.4 m-85 -71.55 14.81 0.16 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -45.57 -64.35 0.75 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.537 1.535 . . . . 0.0 113.6 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -75.05 -32.97 61.67 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.74 -40.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.216 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.643 ' HD1' ' CD2' ' A' ' 122' ' ' TYR . 40.2 t80 -69.13 -53.19 21.45 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.042 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.57 -47.44 84.25 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.629 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.55 -43.21 99.14 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.585 ' CD2' HD23 ' A' ' 106' ' ' LEU . 71.5 t80 -62.09 -51.2 68.88 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.718 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -57.69 -22.07 44.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.3 m -67.24 -19.71 65.56 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.537 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 1.5 p90 -68.95 -13.36 62.4 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.555 -0.716 . . . . 0.0 111.357 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.503 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 18.3 mmm-85 -66.71 2.94 1.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.35 -31.13 57.9 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 172.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -79.85 -32.87 40.55 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.503 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 8.0 p . . . . . 0 C--O 1.249 1.074 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.216 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.96 148.56 19.68 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.154 1.902 . . . . 0.0 111.35 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.73 58.09 5.03 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.8 tp -82.34 114.9 21.12 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m 72.45 19.17 4.31 Favored 'General case' 0 CA--C 1.56 1.33 0 O-C-N 124.169 0.918 . . . . 0.0 110.011 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.482 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 28.4 t70 -59.18 -31.16 68.76 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.265 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -66.8 -1.43 3.88 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.719 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.42 -23.22 64.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.095 -0.378 . . . . 0.0 110.556 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 66' ' ' ASP . 39.9 mtmt -66.24 -7.28 17.42 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.914 0.886 . . . . 0.0 112.69 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 p -61.84 133.81 55.93 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' OE1' ' HE3' ' A' ' 95' ' ' LYS . 31.0 tt0 -78.07 14.51 1.13 Allowed 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.277 0.56 . . . . 0.0 111.24 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -48.99 -25.83 2.19 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.536 1.534 . . . . 0.0 114.597 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.456 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.87 -29.21 17.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.96 0.409 . . . . 0.0 111.895 -176.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.17 13.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 HG21 ' NE1' ' A' ' 96' ' ' TRP . 14.4 p -55.58 -38.95 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.338 0.655 . . . . 0.0 112.041 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.86 -27.59 68.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -74.2 -44.42 53.39 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.66 -42.11 95.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.776 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -60.73 -52.61 64.36 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.721 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.513 ' HB2' ' HZ2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -68.85 -21.25 64.28 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.922 0.391 . . . . 0.0 111.841 -178.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.86 66.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 58.3 mt -70.92 -36.18 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.207 0.527 . . . . 0.0 110.103 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.2 ttt -56.13 -25.94 48.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.952 0.901 . . . . 0.0 111.337 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.39 -22.85 14.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.662 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.533 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.8 t70 -152.76 119.47 3.04 Favored Pre-proline 0 C--O 1.249 1.058 0 C-N-CA 122.321 0.248 . . . . 0.0 110.779 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -92.73 2.06 3.72 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 122.57 2.18 . . . . 0.0 113.19 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.6 m -70.92 -45.06 64.89 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 117.602 0.183 . . . . 0.0 111.415 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -87.06 -4.5 59.16 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.22 -23.48 55.92 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -62.11 -52.09 65.28 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 122.845 0.458 . . . . 0.0 111.603 -174.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.23 -29.87 69.63 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.248 0.546 . . . . 0.0 111.043 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.1 t -63.6 -31.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.372 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.659 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 16.7 m-85 -70.19 -35.74 74.15 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.76 87.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.901 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' HE3' ' OE1' ' A' ' 71' ' ' GLU . 7.2 tmtm? -60.92 -36.53 79.55 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.674 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.451 ' NE1' HG21 ' A' ' 75' ' ' VAL . 23.3 m0 -70.41 -24.03 62.85 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.333 -0.854 . . . . 0.0 112.208 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.28 -24.7 63.09 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.481 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -68.56 -21.83 64.52 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 121.632 0.73 . . . . 0.0 109.49 177.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HD2' ' CG ' ' A' ' 98' ' ' ASP . 17.0 mmmt -91.86 -15.07 28.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.779 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.07 24.79 68.09 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.441 -176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 1.639 ' HE2' ' CE1' ' A' ' 101' ' ' TYR . 19.0 m-85 -67.53 114.15 5.95 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.304 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 m -98.87 94.35 6.53 Favored 'General case' 0 N--CA 1.425 -1.692 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.309 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.5 tp 38.09 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.386 2.274 . . . . 0.0 115.187 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 107' ' ' SER . 10.0 t -63.5 -20.79 65.9 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.945 1.298 . . . . 0.0 112.252 -175.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.8 -25.14 33.01 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 101' ' ' TYR . 67.1 tp -72.53 -25.79 61.51 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 104' ' ' THR . 17.6 m -61.02 -18.75 59.47 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.033 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 0.4 OUTLIER -84.72 -34.87 22.82 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 174.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 90.2 m-85 -68.47 -22.82 64.54 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.364 1.078 . . . . 0.0 109.146 175.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mp -107.7 3.63 24.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.744 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 108' ' ' ASP 0.443 62.0 mttm 26.64 61.88 0.08 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.0 m -107.64 -17.89 13.98 Favored 'General case' 0 N--CA 1.408 -2.568 0 CA-C-N 113.764 -1.562 . . . . 0.0 112.378 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . 0.306 24.2 pttm -84.33 65.89 9.1 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.002 1.382 . . . . 0.0 111.209 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -168.35 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -177.73 108.1 0.06 Allowed 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.786 -1.552 . . . . 0.0 107.198 175.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -65.3 110.79 3.71 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-N 115.428 -0.805 . . . . 0.0 115.013 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.516 ' HD2' ' H ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -93.98 -21.44 19.18 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.018 0.913 . . . . 0.0 109.221 174.092 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.658 ' HE1' ' CE2' ' A' ' 118' ' ' TYR . 81.9 m-85 -97.69 26.48 5.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.3 178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.9 -52.07 3.11 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.246 1.018 . . . . 0.0 112.851 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 4.8 mmp_? -53.82 -44.12 69.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 79' ' ' ALA . 14.8 p -82.72 -31.81 9.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.385 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.614 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 87.9 t80 -62.26 -44.69 95.97 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.517 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -50.75 64.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 123.564 0.54 . . . . 0.0 110.367 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.9 -45.15 94.87 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.644 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -59.72 -47.66 84.76 Favored 'General case' 0 C--O 1.209 -1.035 0 C-N-CA 122.797 0.439 . . . . 0.0 111.65 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.0 ttt -53.93 -29.17 41.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.315 1.046 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.9 m -66.18 -19.5 65.85 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.747 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 1.659 ' HE2' ' CE1' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -68.12 -19.65 64.85 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 121.298 -0.876 . . . . 0.0 111.031 -177.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.501 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -69.23 -0.12 5.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -84.44 -28.58 26.75 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 1.626 ' HD1' ' CD2' ' A' ' 131' ' ' TYR . 65.0 m-85 -120.68 -25.42 5.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.929 -178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.481 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 41.0 t . . . . . 0 C--N 1.316 -0.855 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.113 0 N-CA-C 107.376 -2.29 . . . . 0.0 107.376 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.61 88.39 1.04 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 106.808 -2.035 . . . . 0.0 106.808 169.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.53 144.82 12.79 Favored Glycine 0 C--O 1.274 2.612 0 N-CA-C 108.789 -1.725 . . . . 0.0 108.789 -171.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' HG1' ' A' ' 65' ' ' THR . 2.7 mm? -116.33 -69.58 0.84 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.267 0.556 . . . . 0.0 109.704 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.448 ' HG1' ' C ' ' A' ' 64' ' ' LEU . 30.7 m -163.54 36.95 0.09 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.83 -78.92 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.045 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 tp -140.3 80.74 1.77 Allowed 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.235 0.54 . . . . 0.0 109.937 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.638 ' HD1' ' CD2' ' A' ' 68' ' ' PHE . 15.4 p90 -174.26 -173.71 0.81 Allowed 'General case' 0 C--O 1.247 0.935 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' HG3' ' CD2' ' A' ' 68' ' ' PHE . 7.8 mtpm? 70.65 97.98 0.07 Allowed 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.108 0.88 . . . . 0.0 109.992 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -94.8 7.07 47.09 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.192 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -16.1 61.08 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.511 -0.743 . . . . 0.0 109.848 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -46.48 -37.28 7.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.627 1.171 . . . . 0.0 112.767 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.89 64.9 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.164 0.506 . . . . 0.0 111.785 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.59 -35.12 21.22 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.511 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -58.26 -27.13 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.31 -41.66 73.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 0.0 110.091 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.07 -28.6 57.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.401 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -61.54 -48.76 79.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.303 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -36.13 81.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.407 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.79 82.52 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.591 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 71.2 mt -70.46 -25.09 26.27 Favored 'Isoleucine or valine' 0 C--O 1.251 1.177 0 CA-C-O 122.126 0.965 . . . . 0.0 110.575 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ttt -71.86 -19.8 61.9 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.906 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.55 -49.76 4.3 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 13.1 t70 -118.88 127.21 26.66 Favored Pre-proline 0 C--N 1.312 -1.046 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.407 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -95.86 6.8 1.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.303 2.002 . . . . 0.0 112.949 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -87.69 -52.05 5.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.749 0.309 . . . . 0.0 110.356 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HB2' ' HZ2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -73.07 -4.2 31.09 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -176.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.59 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.162 0.985 . . . . 0.0 112.301 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -56.94 -52.0 66.94 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.857 0.863 . . . . 0.0 110.62 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 94' ' ' GLN . 1.4 t70 -55.68 -37.24 68.07 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.202 1.401 . . . . 0.0 112.17 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 82' ' ' ILE . 23.7 t -77.38 -40.3 28.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.852 -176.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.09 -35.46 80.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.558 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 1.9 tt0 -56.78 -57.34 12.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.264 173.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 13.4 tmtt? -61.09 -24.89 66.57 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.792 0.837 . . . . 0.0 110.395 -178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -83.5 -49.23 9.47 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.509 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.57 -27.02 62.87 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -23.7 52.95 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.398 0.618 . . . . 0.0 110.186 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -93.73 -7.72 42.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.133 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.67 30.77 52.0 Favored Glycine 0 N--CA 1.434 -1.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.405 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -74.08 135.78 42.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.334 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.496 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 25.5 p -98.69 159.75 14.74 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.159 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.77 -37.91 60.22 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.409 0.684 . . . . 0.0 112.345 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.3 t -66.48 -36.91 83.9 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.067 0.46 . . . . 0.0 110.758 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -75.59 -34.0 60.61 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 125' ' ' TYR . 3.3 tm? -63.12 -34.77 78.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.511 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -60.33 -50.42 73.71 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.02 -31.08 69.62 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.946 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.629 ' HE2' ' CE1' ' A' ' 109' ' ' PHE . 22.3 m-30 -72.01 -49.14 39.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.334 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.89 -43.84 34.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.26 -71.15 0.72 Allowed 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.7 t 171.06 -165.27 0.02 OUTLIER 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 101.426 -3.546 . . . . 0.0 101.426 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.455 ' O ' HG21 ' A' ' 114' ' ' THR . 37.2 mttm -79.56 72.09 6.2 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 119.501 1.046 . . . . 0.0 110.355 -176.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.455 HG21 ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 175.3 171.42 0.3 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 128.494 2.718 . . . . 0.0 107.852 178.033 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.577 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 28.8 ttp180 -82.39 167.15 18.79 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -152.33 -149.8 5.21 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.19 -25.54 68.39 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.701 1.239 . . . . 0.0 109.979 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.42 26.36 0.79 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.717 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.577 ' OD1' ' HD2' ' A' ' 115' ' ' ARG . 35.7 t70 -55.81 -39.58 71.53 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.647 0.26 . . . . 0.0 111.206 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -53.45 -44.73 69.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 79' ' ' ALA . 7.3 p -83.96 -33.95 9.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.167 0.508 . . . . 0.0 110.631 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.658 ' HD2' ' CD1' ' A' ' 122' ' ' TYR . 86.8 t80 -69.15 -57.76 4.96 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.359 0.664 . . . . 0.0 112.222 -176.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.95 -31.43 72.0 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.12 -35.11 82.8 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.361 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.516 ' CD2' ' HG ' ' A' ' 106' ' ' LEU . 51.7 t80 -67.29 -28.75 68.28 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.116 0.567 . . . . 0.0 111.973 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.2 tpt -50.85 -32.67 20.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.288 0.635 . . . . 0.0 112.223 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -55.6 -19.63 10.91 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.242 1.017 . . . . 0.0 112.49 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.496 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -78.17 -20.4 52.05 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.427 -0.795 . . . . 0.0 110.363 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.11 -10.58 59.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.44 -167.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.49 -2.84 32.09 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.942 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 1.645 ' HE2' ' CE1' ' A' ' 131' ' ' TYR . 84.8 m-85 -127.24 -36.29 2.14 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.143 -177.828 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.605 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.23 169.2 21.27 Favored 'Trans proline' 0 C--O 1.24 0.612 0 C-N-CA 122.183 1.922 . . . . 0.0 110.424 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.24 165.95 32.47 Favored Glycine 0 N--CA 1.428 -1.849 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -163.2 -48.26 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.3 t -146.86 164.7 32.01 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.95 138.46 32.47 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 123.751 0.657 . . . . 0.0 109.855 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.92 -15.07 12.41 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.15 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.663 ' HD2' ' CD1' ' A' ' 68' ' ' PHE . 99.5 m-85 -77.53 -39.02 47.46 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' C ' ' HG1' ' A' ' 70' ' ' THR 0.274 26.1 mtmm 89.17 78.12 0.01 OUTLIER 'General case' 0 C--O 1.242 0.665 0 C-N-CA 126.458 1.903 . . . . 0.0 113.654 174.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.472 ' HG1' ' C ' ' A' ' 69' ' ' LYS 0.252 32.3 p 66.88 27.04 9.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 126.601 1.961 . . . . 0.0 115.38 173.666 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 67.43 -39.19 0.37 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 171.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 30.9 pttt -42.36 -32.74 0.55 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -172.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.27 42.4 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.48 -39.46 18.88 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 120.91 0.386 . . . . 0.0 111.262 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 109' ' ' PHE . 12.4 p -57.93 -26.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.245 0.618 . . . . 0.0 111.501 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 68.0 mttm -62.27 -33.52 74.79 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.023 0.439 . . . . 0.0 110.825 176.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -69.32 -24.27 63.91 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.547 0.689 . . . . 0.0 110.762 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.0 mmt -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.7 81.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.917 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -62.17 -26.24 68.23 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.387 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.73 -39.13 22.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.392 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.9 mm -65.98 -32.03 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.37 1.081 . . . . 0.0 108.709 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.2 ttm -70.29 -25.9 63.54 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.681 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.57 -51.8 8.34 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.461 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 19.7 t70 -133.83 122.53 16.59 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.958 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -94.32 7.39 2.37 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 m -84.37 -42.15 16.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.597 0.713 . . . . 0.0 109.698 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.499 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -85.66 -5.37 59.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.288 177.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.65 -39.56 58.39 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.03 -38.38 62.34 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.15 -30.37 70.33 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 119.566 -0.853 . . . . 0.0 111.211 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.428 ' HA ' ' HB2' ' A' ' 95' ' ' LYS . 47.9 t -81.57 -28.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.667 ' HE2' ' CE1' ' A' ' 93' ' ' TYR . 21.1 m-30 -63.02 -45.0 94.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.48 80.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.603 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 7.1 mmtm -67.65 -45.3 75.71 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.024 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.174 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.91 89.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.603 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -80.65 -12.77 59.44 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.845 0.831 . . . . 0.0 110.534 -177.019 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HZ3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -97.7 -4.09 37.92 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 178.167 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.8 22.19 67.0 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.316 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -98.78 113.86 26.15 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.6 p -103.67 172.2 6.94 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.919 0.137 . . . . 0.0 110.712 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.87 -42.39 68.55 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.867 0.867 . . . . 0.0 112.203 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -69.21 -28.12 66.09 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.46 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.81 -24.12 67.59 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.395 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 111' ' ' LYS . 58.3 m -61.84 -30.24 70.71 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.135 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.82 -45.79 12.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.824 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' HB3' HG13 ' A' ' 75' ' ' VAL . 21.5 m-30 -52.39 -48.99 65.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.627 1.204 . . . . 0.0 111.519 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.8 -47.03 10.1 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.657 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.477 ' HB2' ' HZ3' ' A' ' 111' ' ' LYS . 3.1 ttmp? 62.05 48.32 5.19 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 123.263 1.506 . . . . 0.0 108.764 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.0 t -65.99 -3.1 4.71 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.582 -176.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.603 ' NZ ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -92.17 -30.05 16.15 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 120.733 -1.23 . . . . 0.0 110.827 176.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.9 m -89.44 -40.73 12.51 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -116.5 93.26 4.14 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.27 34.54 2.43 Favored Glycine 0 C--O 1.211 -1.306 0 N-CA-C 114.23 0.452 . . . . 0.0 114.23 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 119' ' ' ASP . 14.6 tptp -93.03 -18.83 22.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.708 0.766 . . . . 0.0 109.959 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -76.76 26.56 0.14 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 121.961 -0.462 . . . . 0.0 112.152 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.9 OUTLIER -42.96 -64.38 0.64 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.142 1.777 . . . . 0.0 113.803 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.34 -49.44 76.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.01 -43.07 89.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -174.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 85.0 t80 -71.76 -55.15 8.17 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.216 -176.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.57 -37.16 92.35 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.544 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.88 -33.67 76.57 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.565 0.346 . . . . 0.0 111.674 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.8 ttt -50.33 -34.33 23.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.001 0.921 . . . . 0.0 112.395 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.2 m -57.38 -20.8 31.82 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.414 1.086 . . . . 0.0 112.342 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 1.638 ' HD1' ' CD2' ' A' ' 128' ' ' TYR . 0.9 OUTLIER -62.82 -24.73 67.91 Favored 'General case' 0 C--O 1.207 -1.162 0 O-C-N 121.77 -0.581 . . . . 0.0 111.003 -177.147 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.559 ' HA ' ' NE ' ' A' ' 129' ' ' ARG . 1.0 OUTLIER -64.97 -18.08 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.25 -11.18 50.43 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.478 0.486 . . . . 0.0 111.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -136.64 -27.84 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.406 ' C ' HH21 ' A' ' 129' ' ' ARG . 11.1 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.927 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.347 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.62 -31.9 69.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.874 1.716 . . . . 0.0 108.736 173.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.12 162.27 24.49 Favored Glycine 0 N--CA 1.415 -2.724 0 N-CA-C 106.372 -2.691 . . . . 0.0 106.372 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp 61.54 76.53 0.36 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 122.197 0.998 . . . . 0.0 111.233 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -143.01 20.74 1.95 Allowed 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.56 36.2 0.43 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 112.075 -2.329 . . . . 0.0 112.996 -169.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -85.88 82.14 8.27 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -152.22 -167.28 2.72 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 p -76.79 100.83 5.61 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -26.12 68.69 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 51.1 mmtt -54.98 -48.0 73.85 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.545 1.164 . . . . 0.0 108.66 175.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' LYS . . . -76.59 -19.36 57.94 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.477 -1.692 . . . . 0.0 111.722 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.36 -56.95 3.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.838 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.76 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 76.4 tttt -70.19 -18.06 63.17 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.493 0.663 . . . . 0.0 111.198 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.5 tppp? -76.66 -29.9 56.57 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.0 mtt -82.57 -36.98 25.74 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.74 -41.13 76.97 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.626 0.771 . . . . 0.0 110.027 176.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -57.99 -29.45 65.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.908 175.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.23 -35.75 47.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 0.0 111.601 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 92' ' ' VAL . 1.9 mp -74.4 -26.59 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.469 0.652 . . . . 0.0 110.397 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.3 ptm -70.3 -16.5 63.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.879 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.03 -58.4 2.41 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.519 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 18.6 t70 -115.0 115.66 43.1 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -95.44 13.26 1.29 Allowed 'Trans proline' 0 N--CA 1.436 -1.893 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 -43.81 9.21 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.519 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.14 -4.54 59.19 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.54 0.686 . . . . 0.0 110.755 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.85 -32.75 15.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.464 -1.244 . . . . 0.0 113.186 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.23 -49.94 70.72 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -54.86 -42.61 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.706 1.202 . . . . 0.0 111.859 176.007 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.412 HG22 HD12 ' A' ' 82' ' ' ILE . 55.3 t -74.38 -32.34 30.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.757 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -68.54 -47.02 67.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 4.8 pp0? -66.35 -36.61 83.34 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.542 -177.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -75.76 -17.49 59.87 Favored 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.406 179.465 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -79.31 -40.66 29.83 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.115 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.07 96.4 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.941 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.484 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -74.13 -20.44 60.24 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.921 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 47.7 mmtm -90.16 -2.48 58.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.822 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.84 12.03 58.35 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.846 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -72.34 125.84 28.37 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.128 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -104.34 142.65 34.18 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.883 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -42.15 -45.1 3.92 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.184 1.394 . . . . 0.0 113.103 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -56.55 -32.6 65.31 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -77.54 -22.22 51.39 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 122.638 0.375 . . . . 0.0 110.78 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 125' ' ' TYR . 20.8 tp -67.69 -26.35 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 0.0 109.838 -176.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m -62.22 -33.59 74.85 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.929 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 29.4 t70 -75.42 -34.19 61.0 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.398 0.618 . . . . 0.0 110.689 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.663 ' HD2' ' CD1' ' A' ' 109' ' ' PHE . 19.0 m-85 -75.11 -49.0 21.03 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -86.85 22.81 1.87 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.286 0.846 . . . . 0.0 113.286 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 108' ' ' ASP . 24.8 pttm -79.41 -179.97 7.1 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m 63.4 35.71 11.99 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.467 ' HZ3' ' CG ' ' A' ' 119' ' ' ASP . 25.2 ttmm -35.31 -57.55 0.59 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.218 2.207 . . . . 0.0 113.95 -174.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.9 p 45.06 71.29 0.28 Allowed 'General case' 0 C--O 1.252 1.222 0 O-C-N 124.206 0.941 . . . . 0.0 113.083 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 77.41 161.5 0.22 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.324 1.45 . . . . 0.0 110.471 -173.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.46 71.66 1.03 Allowed Glycine 0 CA--C 1.519 0.293 0 O-C-N 123.356 0.41 . . . . 0.0 113.935 -175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -90.23 -60.68 1.86 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.077 0.465 . . . . 0.0 110.217 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -88.92 4.99 46.08 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 121.263 0.554 . . . . 0.0 110.384 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.467 ' CG ' ' HZ3' ' A' ' 113' ' ' LYS . 2.4 m-20 -66.84 -23.82 66.07 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.41 -55.88 17.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.1 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 p -68.25 -36.82 76.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.776 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.646 ' HE2' ' CE1' ' A' ' 122' ' ' TYR . 63.8 t80 -64.45 -58.62 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.426 0.155 . . . . 0.0 111.388 -178.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -62.27 -35.67 79.69 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.479 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.12 -49.79 68.64 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 1.65 ' HD2' ' CD1' ' A' ' 125' ' ' TYR . 69.8 t80 -61.79 -38.7 89.03 Favored 'General case' 0 C--O 1.195 -1.79 0 C-N-CA 122.752 0.421 . . . . 0.0 110.828 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -51.52 -33.11 30.39 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.618 0.767 . . . . 0.0 111.732 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.2 m -65.21 -19.57 66.03 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.623 0.769 . . . . 0.0 111.672 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.9 OUTLIER -66.35 -18.45 65.37 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.48 -0.762 . . . . 0.0 110.174 -178.469 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.2 mmm180 -65.78 -13.72 59.98 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.28 -17.38 27.54 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.473 0.654 . . . . 0.0 110.278 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -118.41 -36.71 3.47 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.239 0.542 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.139 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -100.91 31.33 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.959 2.439 . . . . 0.0 111.556 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 57.84 0.66 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -154.57 -45.44 0.09 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.821 0.819 . . . . 0.0 110.378 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -146.13 85.67 1.68 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.41 -77.46 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.293 -169.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.74 -14.57 56.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.315 0.579 . . . . 0.0 111.015 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.59 ' HD2' ' CD1' ' A' ' 68' ' ' PHE . 93.8 m-85 -78.22 81.87 4.57 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.798 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -152.68 103.95 2.84 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.962 0.887 . . . . 0.0 109.792 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 p -110.5 30.74 6.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.918 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 9.77 1.58 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.6 -29.45 70.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.238 0.542 . . . . 0.0 110.877 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.06 -20.66 64.1 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.971 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.51 -44.26 12.84 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.05 -37.85 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.01 0.924 . . . . 0.0 111.589 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -61.32 -22.44 64.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -35.18 46.27 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.62 -42.08 78.58 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.112 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.492 ' HZ2' ' HB2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -72.71 -21.3 61.07 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.38 -43.9 22.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.88 -31.3 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.74 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.76 -24.77 67.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.61 -55.27 3.86 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.425 ' OD2' ' HG2' ' A' ' 88' ' ' LYS . 12.2 t70 -108.03 116.33 57.18 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.242 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.04 -5.43 7.71 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 122.423 2.082 . . . . 0.0 113.167 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -69.58 -45.01 69.65 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-O 120.876 0.37 . . . . 0.0 110.925 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.425 ' HG2' ' OD2' ' A' ' 85' ' ' ASP . 8.6 ptpp? -86.81 -7.05 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.542 0.687 . . . . 0.0 110.429 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.77 95.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -168.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 9.7 t70 -65.37 -46.3 80.7 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-O 121.037 0.446 . . . . 0.0 110.431 -174.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.7 -28.09 65.46 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.628 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.2 t -83.5 -35.19 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 20.0 m-85 -63.35 -48.26 78.72 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.8 -32.26 73.68 Favored 'General case' 0 C--O 1.198 -1.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.73 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tmmm? -70.04 -28.56 65.56 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 121.648 0.737 . . . . 0.0 109.823 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -71.0 -41.97 70.24 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.611 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.62 84.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.047 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -23.07 65.13 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.562 0.696 . . . . 0.0 111.233 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -93.88 1.83 56.29 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.056 -0.403 . . . . 0.0 110.911 175.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 4.4 68.83 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.941 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 1.666 ' HD1' ' CD2' ' A' ' 101' ' ' TYR . 12.6 m-85 -85.9 113.51 22.09 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t -111.67 165.17 12.26 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.833 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.1 tp -71.26 81.82 0.74 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.958 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.8 t 170.05 -42.31 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.837 2.055 . . . . 0.0 106.233 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.07 -40.66 16.56 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.044 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.27 -28.33 67.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.334 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.8 m -63.94 -26.0 68.39 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.435 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.21 -26.21 28.9 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-O 121.214 0.53 . . . . 0.0 111.148 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.614 ' HE2' ' CE1' ' A' ' 109' ' ' PHE . 53.9 m-85 -66.48 -47.4 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.34 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.92 -32.41 40.16 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.562 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.8 tptt 66.71 50.4 1.17 Allowed 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -174.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.7 m -52.52 157.68 1.46 Allowed 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 110.589 -3.005 . . . . 0.0 116.154 -170.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.514 ' HZ3' ' HB3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -152.03 118.88 5.77 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 170.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -69.66 20.87 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 125.438 1.495 . . . . 0.0 113.452 -172.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.562 ' HA ' ' OD2' ' A' ' 119' ' ' ASP . 1.6 tpm_? -153.27 131.82 12.2 Favored 'General case' 0 N--CA 1.422 -1.865 0 O-C-N 121.567 -0.708 . . . . 0.0 109.508 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.77 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 116.604 1.402 . . . . 0.0 116.604 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.63 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -93.15 -62.35 1.39 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -174.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.622 ' HD1' ' CD2' ' A' ' 118' ' ' TYR . 61.6 m-85 -112.29 25.32 11.64 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.562 ' OD2' ' HA ' ' A' ' 115' ' ' ARG . 12.2 t0 -49.06 -63.24 1.16 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 126.399 1.88 . . . . 0.0 111.288 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.22 -39.77 93.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.813 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.96 -38.65 43.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.098 -0.641 . . . . 0.0 112.025 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.88 -52.78 47.26 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.53 -32.32 73.91 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.21 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -46.18 60.73 Favored Glycine 0 N--CA 1.438 -1.229 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -63.62 -37.44 87.32 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.387 0.675 . . . . 0.0 110.971 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.8 ttp -50.61 -31.94 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.185 0.994 . . . . 0.0 112.148 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -58.67 -24.44 61.26 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -13.98 62.72 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.892 -0.505 . . . . 0.0 110.892 -176.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -61.89 -6.09 2.54 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.48 -28.9 18.26 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.486 0.491 . . . . 0.0 111.021 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -86.7 -38.29 17.13 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.667 -0.813 . . . . 0.0 112.749 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.248 1.015 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.389 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 CA-C-O 117.211 -1.883 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -36.42 131.25 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 124.783 3.656 . . . . 0.0 114.425 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.16 -55.38 1.29 Allowed Glycine 0 C--O 1.216 -1.022 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -89.41 -11.65 42.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.286 1.041 . . . . 0.0 108.542 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -158.17 99.74 1.66 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 67' ' ' LEU . 6.8 p-10 -94.6 -83.63 0.34 Allowed 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.969 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.488 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 97.8 mt -121.13 -178.62 3.81 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.62 ' HE1' ' CE2' ' A' ' 68' ' ' PHE . 86.3 m-85 -86.87 21.03 2.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.043 0.449 . . . . 0.0 110.803 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' HZ2' ' CG ' ' A' ' 66' ' ' ASP . 9.7 mmpt? 58.04 43.37 21.11 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.296 81.0 p 87.05 111.26 0.04 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.621 2.768 . . . . 0.0 109.368 -170.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -63.85 9.91 0.06 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 126.815 2.046 . . . . 0.0 114.81 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -51.91 -34.11 39.99 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 123.736 0.814 . . . . 0.0 112.484 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -78.36 -22.06 48.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.505 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.65 -47.54 9.72 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.2 -49.25 77.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.122 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.03 -17.62 63.54 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -69.77 -53.02 20.26 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.444 ' O ' HG13 ' A' ' 82' ' ' ILE . 18.6 mmt -68.84 -38.09 79.57 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 124.218 0.949 . . . . 0.0 112.121 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -53.03 -59.37 4.63 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 124.368 1.042 . . . . 0.0 110.967 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.526 ' HB3' ' HZ3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -66.27 -22.85 66.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.913 178.606 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.85 -30.85 67.36 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 66.4 mt -80.4 -22.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.879 0.847 . . . . 0.0 108.769 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.436 ' HE3' ' HG2' ' A' ' 80' ' ' LYS . 64.8 ttp -61.95 -34.68 76.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.147 176.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.59 -46.71 6.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.619 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 22.8 t70 -115.99 123.23 31.28 Favored Pre-proline 0 C--O 1.247 0.921 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.15 4.59 3.22 Favored 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.1 t -85.33 -51.41 6.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.401 0.62 . . . . 0.0 109.689 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.619 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -78.45 -5.42 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.705 0.764 . . . . 0.0 111.036 178.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.06 -49.66 68.49 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.417 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.77 -39.33 84.52 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -38.97 56.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.956 0.884 . . . . 0.0 110.602 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.5 t -79.61 -36.3 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.806 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.983 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.496 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 4.7 m-85 -59.25 -47.31 85.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.551 0.215 . . . . 0.0 110.693 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.632 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -69.23 -40.46 77.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.237 0.541 . . . . 0.0 111.05 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.521 ' HZ1' ' HB2' ' A' ' 95' ' ' LYS . 4.1 ttmp? -68.04 -33.83 75.32 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.16 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.477 ' HB3' ' HH ' ' A' ' 125' ' ' TYR . 13.9 m0 -69.86 -22.44 63.26 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.308 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.8 -39.26 21.98 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.61 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.518 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -76.62 -29.52 56.52 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.007 0.432 . . . . 0.0 110.829 -176.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -80.81 1.91 28.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.732 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.09 15.84 77.96 Favored Glycine 0 N--CA 1.434 -1.453 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 173.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -64.73 112.93 3.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.392 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 42.46 0.61 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.822 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.3 tp 63.17 -72.13 0.05 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.344 1.058 . . . . 0.0 113.493 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.2 t -69.36 -6.17 28.18 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.648 0.779 . . . . 0.0 112.532 -174.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -84.97 -23.7 28.63 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.5 tp -75.93 -30.41 58.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 m -54.43 -36.81 64.43 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 114.065 -1.425 . . . . 0.0 112.238 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -84.54 -32.92 23.6 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.84 -35.11 80.05 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 122.388 1.09 . . . . 0.0 109.02 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.75 28.0 2.85 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.924 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 tptp 73.06 103.58 0.07 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.377 1.471 . . . . 0.0 111.237 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -18.28 84.74 0.0 OUTLIER 'General case' 0 C--O 1.242 0.67 0 C-N-CA 127.745 2.418 . . . . 0.0 115.983 -175.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.3 mptt 61.4 13.25 4.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.046 1.338 . . . . 0.0 112.712 172.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 115' ' ' ARG . 11.2 m -89.26 -38.93 13.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 122.272 -0.267 . . . . 0.0 110.835 -175.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 114' ' ' THR . 49.6 mtm180 74.7 -71.66 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.989 0.916 . . . . 0.0 111.228 -177.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.71 -97.89 0.19 Allowed Glycine 0 C--O 1.214 -1.098 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 119' ' ' ASP 0.251 4.4 mmmp? -91.21 -18.68 24.02 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 1.649 ' HE1' ' CE2' ' A' ' 118' ' ' TYR . 78.6 m-85 -83.21 25.78 0.69 Allowed 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 117' ' ' LYS . 4.8 p-10 -48.36 -62.52 1.45 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.482 1.513 . . . . 0.0 112.241 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -44.24 84.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -66.45 -45.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.417 ' O ' ' HG3' ' A' ' 126' ' ' MET . 83.3 t80 -79.63 -47.98 14.51 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.002 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -65.88 -32.95 74.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.27 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.87 45.77 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.496 ' HA ' ' CE2' ' A' ' 93' ' ' TYR . 79.5 t80 -54.68 -40.36 69.03 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.135 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 122' ' ' TYR . 86.3 mtp -51.64 -32.15 28.21 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.571 0.749 . . . . 0.0 112.584 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -66.08 -19.61 65.9 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.755 0.822 . . . . 0.0 112.072 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -24.21 65.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.923 -0.486 . . . . 0.0 111.579 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 1.1 tpm_? -68.04 -11.81 59.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.711 -166.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.17 -32.72 22.55 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.27 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.78 -36.39 6.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--O 1.256 1.411 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -177.665 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.525 ' H2 ' ' CG ' ' A' ' 66' ' ' ASP . . . . . . . . 0 CA--C 1.491 -1.449 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -97.34 25.55 0.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.763 2.309 . . . . 0.0 111.601 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.7 159.34 15.38 Favored Glycine 0 N--CA 1.423 -2.18 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.16 97.05 4.01 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m 68.69 32.79 4.04 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.369 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CG ' ' H2 ' ' A' ' 61' ' ' GLY . 3.5 p-10 -69.28 -25.57 64.31 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.728 0.775 . . . . 0.0 109.46 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.45 84.94 7.48 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.357 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.637 ' HE1' ' CE2' ' A' ' 68' ' ' PHE . 87.6 m-85 -61.58 112.58 2.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.607 177.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -75.78 6.61 4.75 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.439 -177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.6 p -80.51 -177.91 6.44 Favored 'General case' 0 C--O 1.266 1.97 0 CA-C-O 121.14 0.495 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.517 ' O ' HG21 ' A' ' 75' ' ' VAL . 35.4 mt-10 -82.57 30.58 0.42 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 123.629 0.772 . . . . 0.0 111.116 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -45.88 -27.16 0.81 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.736 1.615 . . . . 0.0 115.013 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.42 -28.25 18.76 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -176.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.17 24.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.73 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 71' ' ' GLU . 76.4 t -55.53 -48.69 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.861 176.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.35 -20.84 66.57 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.112 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -76.49 -44.68 34.29 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.87 -30.41 61.32 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.227 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.03 90.4 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.744 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.0 tmtm? -65.71 -35.28 80.31 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.339 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -44.58 69.69 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.59 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 68.7 mt -69.35 -23.2 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.963 . . . . 0.0 110.387 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.516 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 7.5 ttt -60.79 -24.59 65.91 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.198 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.38 -54.79 2.53 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.604 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 18.1 t70 -106.92 127.22 28.46 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.466 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -96.42 1.34 1.99 Allowed 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.435 2.09 . . . . 0.0 112.898 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -79.33 -49.13 12.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.532 ' HE3' ' O ' ' A' ' 88' ' ' LYS 0.291 0.1 OUTLIER -81.01 -5.43 57.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.156 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.79 -43.73 2.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.941 1.297 . . . . 0.0 113.997 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.58 -46.61 73.78 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.62 0.575 . . . . 0.0 111.835 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -34.39 49.82 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.18 0.992 . . . . 0.0 112.094 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' HB ' HD12 ' A' ' 82' ' ' ILE . 65.9 t -83.17 -44.38 18.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.426 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.624 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 18.7 m-30 -60.65 -46.68 89.41 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 123.37 0.418 . . . . 0.0 110.766 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -67.6 -34.79 77.71 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.713 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.679 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 2.9 ttmp? -81.53 -40.0 23.82 Favored 'General case' 0 C--O 1.2 -1.516 0 CA-C-O 122.034 0.921 . . . . 0.0 110.401 -175.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.506 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 2.3 m-90 -66.92 -21.5 65.99 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.214 1.007 . . . . 0.0 109.677 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . . . -76.01 -44.41 39.65 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 113.977 -1.465 . . . . 0.0 109.641 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.679 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -72.86 -36.95 67.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 123.51 0.506 . . . . 0.0 111.034 -177.146 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 13.3 mmmm -74.41 2.81 8.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.314 -177.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.85 -0.57 87.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.001 0.76 . . . . 0.0 115.001 173.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.76 113.4 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.139 0.971 . . . . 0.0 110.478 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -95.76 139.42 32.02 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -42.95 -44.18 4.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.23 1.412 . . . . 0.0 112.985 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 -41.73 99.02 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -82.25 -29.43 31.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.77 0.795 . . . . 0.0 109.069 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.09 -26.43 68.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.104 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.0 m -61.48 -31.26 71.23 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.252 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.421 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 21.3 t70 -80.98 -35.13 32.44 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.195 0.521 . . . . 0.0 110.184 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.619 ' HE2' ' CE1' ' A' ' 109' ' ' PHE . 46.0 m-85 -65.95 -30.34 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.611 178.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.38 -42.34 20.61 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 14.5 tppt? 76.15 24.93 1.09 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.553 1.941 . . . . 0.0 110.519 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -136.94 166.92 22.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -148.9 -51.9 0.16 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 124.068 0.947 . . . . 0.0 110.052 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.7 t -147.38 80.14 1.51 Allowed 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.032 0.92 . . . . 0.0 111.034 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -141.52 -24.02 0.72 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.38 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' A' ' 119' ' ' ASP . . . 88.3 26.59 27.75 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.794 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.14 -63.92 1.1 Allowed 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.327 -1.101 . . . . 0.0 112.098 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.412 ' O ' HG13 ' A' ' 121' ' ' VAL . 56.1 m-85 -114.29 6.9 16.29 Favored 'General case' 0 CA--C 1.487 -1.456 0 CA-C-O 122.784 1.278 . . . . 0.0 107.827 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 116' ' ' GLY . 0.9 OUTLIER -60.76 -31.39 70.74 Favored 'General case' 0 C--N 1.269 -2.923 0 CA-C-N 113.483 -1.69 . . . . 0.0 110.079 -177.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -61.68 -46.67 88.72 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.361 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 118' ' ' TYR . 12.8 p -78.25 -30.24 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.24 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.649 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 55.0 t80 -58.9 -46.9 86.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.455 0.702 . . . . 0.0 110.643 176.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.44 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.64 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.2 98.99 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 1.61 ' HE1' ' CE2' ' A' ' 125' ' ' TYR . 20.6 m-85 -59.42 -23.95 63.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.907 0.483 . . . . 0.0 112.233 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 87.1 mtp -66.3 -22.76 66.3 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.753 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 73.6 p -81.18 -37.63 28.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -70.4 -34.5 72.61 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.274 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 132' ' ' VAL . 3.6 tpm_? -76.25 2.53 13.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.545 -168.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.33 -27.99 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.819 0.819 . . . . 0.0 108.899 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.49 -12.48 15.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.559 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 129' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.175 0 N-CA-C 108.496 -1.842 . . . . 0.0 108.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.0 94.04 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.117 1.878 . . . . 0.0 110.014 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.53 2.5 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' H ' HD21 ' A' ' 64' ' ' LEU . 2.5 pt? -93.55 175.9 6.57 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 m -135.07 102.97 5.38 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.15 148.01 32.49 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.065 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.41 -26.89 15.68 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.603 ' HD2' ' CD1' ' A' ' 68' ' ' PHE . 99.1 m-85 -140.9 124.12 16.56 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -161.32 144.22 12.47 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 72' ' ' LYS . 6.4 m 64.93 32.65 10.48 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 122.184 0.993 . . . . 0.0 110.744 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.572 ' O ' HG11 ' A' ' 75' ' ' VAL . 30.3 mt-10 -73.31 25.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.987 1.315 . . . . 0.0 111.727 -178.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.558 ' O ' HG21 ' A' ' 75' ' ' VAL . 17.9 ptmt -62.94 -24.43 67.87 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.324 1.05 . . . . 0.0 112.812 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.14 68.41 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.25 0.548 . . . . 0.0 110.235 174.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -36.89 58.08 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.481 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.658 ' HB ' ' CH2' ' A' ' 96' ' ' TRP . 6.0 m -61.05 -36.28 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 67.9 mttm -65.82 -33.13 75.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 120.788 0.328 . . . . 0.0 110.722 178.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -68.66 -25.34 64.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.329 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.6 mmt -83.63 -47.2 11.51 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.68 -43.13 76.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.123 -1.398 . . . . 0.0 111.674 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.649 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -59.9 -45.11 93.56 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.744 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.61 64.82 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.4 tt -76.33 -23.2 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 122.46 1.124 . . . . 0.0 109.615 175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 18.8 ttm -66.73 -30.56 70.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.368 171.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.64 -58.51 3.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.535 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 27.0 t70 -117.83 118.64 34.63 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-O 120.879 0.371 . . . . 0.0 111.476 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -96.8 14.93 0.83 Allowed 'Trans proline' 0 N--CA 1.437 -1.8 0 C-N-CA 122.679 2.252 . . . . 0.0 112.181 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -90.55 -38.91 12.87 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 121.804 0.812 . . . . 0.0 109.09 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.535 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.83 -3.57 59.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.29 176.143 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.89 -43.02 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.836 1.654 . . . . 0.0 115.119 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.81 -55.54 4.42 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.594 1.158 . . . . 0.0 113.561 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 3.0 p30 -66.2 -25.65 67.03 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.07 -36.5 21.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.646 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 32.4 m-85 -61.15 -46.67 89.57 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -23.34 60.15 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 7.3 tmtm? -83.26 -21.0 33.45 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.964 0.888 . . . . 0.0 109.422 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.658 ' CH2' ' HB ' ' A' ' 75' ' ' VAL . 15.0 t-105 -83.9 -35.47 24.06 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.23 86.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 108.941 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -52.94 -37.93 61.43 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 125.629 1.572 . . . . 0.0 110.863 172.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HZ3' ' CD ' ' A' ' 71' ' ' GLU . 29.8 mmmt -78.96 -10.82 59.94 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.326 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.53 21.09 79.83 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 116.223 -0.444 . . . . 0.0 113.083 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.34 137.19 38.61 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.703 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.7 p -99.92 149.36 23.5 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.932 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.03 -33.22 62.47 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.837 0.855 . . . . 0.0 112.659 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.2 t -68.52 -28.41 66.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.836 0.351 . . . . 0.0 111.366 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.21 -21.1 29.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.529 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -54.4 -37.02 64.57 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.731 0.813 . . . . 0.0 111.536 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.0 t -67.91 -24.95 65.27 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.774 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 27.3 t70 -83.39 -32.17 26.3 Favored 'General case' 0 C--O 1.245 0.832 0 O-C-N 121.771 -0.581 . . . . 0.0 110.284 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.86 -48.83 51.75 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.057 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.66 -41.38 13.43 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.342 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 74.6 mmtt 71.77 69.08 0.15 Allowed 'General case' 0 C--O 1.249 1.039 0 CA-C-O 122.297 1.046 . . . . 0.0 111.816 -174.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 p -170.98 158.52 5.72 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.695 -1.593 . . . . 0.0 107.522 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -144.74 -52.97 0.3 Allowed 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -75.89 32.16 0.11 Allowed 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.463 1.105 . . . . 0.0 111.537 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.52 ' HB3' ' OD1' ' A' ' 119' ' ' ASP . 18.8 mtp180 58.66 -147.25 0.5 Allowed 'General case' 0 C--O 1.252 1.217 0 C-N-CA 123.411 0.684 . . . . 0.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 82.4 -81.09 1.73 Allowed Glycine 0 C--O 1.217 -0.953 0 C-N-CA 121.344 -0.455 . . . . 0.0 113.112 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.83 -57.62 11.67 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.575 1.178 . . . . 0.0 110.931 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -115.14 28.18 8.88 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.351 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 115' ' ' ARG . 23.7 t70 -35.83 -63.06 0.39 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.747 1.619 . . . . 0.0 113.986 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.32 -39.67 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.5 p -84.03 -36.98 12.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.617 ' HD1' ' CD2' ' A' ' 122' ' ' TYR . 78.0 t80 -63.94 -52.53 59.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.997 0.427 . . . . 0.0 110.353 -177.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -34.4 77.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.83 -46.02 94.14 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.503 -0.38 . . . . 0.0 112.289 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -70.56 -23.22 62.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.427 -0.455 . . . . 0.0 112.2 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.9 ttp -66.15 -41.9 89.79 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.741 ' HA ' ' OD2' ' A' ' 130' ' ' ASP . 60.9 m -64.23 -19.84 65.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -74.29 -24.04 59.19 Favored 'General case' 0 C--O 1.191 -1.98 0 C-N-CA 116.611 -2.036 . . . . 0.0 109.716 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.06 -6.79 59.43 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.346 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.741 ' OD2' ' HA ' ' A' ' 127' ' ' THR . 26.6 m-20 -83.44 -13.18 55.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.113 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 1.627 ' HE2' ' CE1' ' A' ' 131' ' ' TYR . 74.5 m-85 -127.65 -30.85 2.51 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.313 -1.015 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -178.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.316 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.76 125.72 10.2 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.343 2.029 . . . . 0.0 110.852 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.47 65.14 0.55 Allowed Glycine 0 C--N 1.306 -1.123 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -154.27 177.36 11.21 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.786 0.327 . . . . 0.0 110.606 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -143.27 154.82 44.19 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.551 ' OD1' ' HG3' ' A' ' 69' ' ' LYS . 20.2 t70 -77.58 71.72 4.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 122.956 1.36 . . . . 0.0 111.195 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -135.92 -53.13 0.75 Allowed 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -83.11 67.95 9.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HG3' ' OD1' ' A' ' 66' ' ' ASP . 13.0 mmmm -145.21 107.94 4.48 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.943 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -81.48 -5.46 57.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' O ' HG21 ' A' ' 75' ' ' VAL . 48.5 mt-10 -55.98 -43.22 77.38 Favored 'General case' 0 C--O 1.199 -1.572 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.501 -177.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.72 -36.98 70.32 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -23.3 61.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.236 0.541 . . . . 0.0 110.757 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.58 -36.83 20.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.791 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 71' ' ' GLU . 75.0 t -54.77 -42.54 62.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 C-N-CA 123.988 0.915 . . . . 0.0 111.312 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.78 -24.6 67.82 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 62.1 mttp -80.78 -32.12 35.53 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mmt -74.03 -31.06 62.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.379 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -65.99 -41.65 90.8 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.487 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -65.09 -36.18 83.47 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HA ' ' OD1' ' A' ' 85' ' ' ASP . . . -66.89 -45.43 78.03 Favored 'General case' 0 C--O 1.171 -3.03 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.52 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.493 HD12 ' HB ' ' A' ' 92' ' ' VAL . 71.5 mt -65.38 -34.65 71.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.127 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.5 ttp -71.55 -30.1 65.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.635 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -103.07 -60.56 1.53 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.382 0.611 . . . . 0.0 111.104 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.461 ' OD1' ' HA ' ' A' ' 81' ' ' ALA . 1.3 m-20 -86.66 99.06 0.96 Allowed Pre-proline 0 C--N 1.288 -2.074 0 C-N-CA 125.73 1.612 . . . . 0.0 109.058 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 68.1 Cg_endo -76.34 -16.24 17.45 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 121.561 1.508 . . . . 0.0 113.22 -172.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -87.64 -12.1 46.53 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-O 120.773 0.321 . . . . 0.0 110.137 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 88' ' ' LYS . 9.0 tmtm? -89.19 -7.9 54.67 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.642 0.734 . . . . 0.0 110.069 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.38 94.01 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -57.55 -52.94 63.35 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.331 0.653 . . . . 0.0 111.283 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.06 -50.42 15.2 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 125.243 1.417 . . . . 0.0 112.713 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.493 ' HB ' HD12 ' A' ' 82' ' ' ILE . 21.5 t -74.01 -29.58 25.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.433 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.659 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 3.2 m-85 -63.7 -35.51 80.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.023 0.439 . . . . 0.0 110.497 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -33.98 31.99 Favored 'General case' 0 CA--C 1.475 -1.911 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.607 177.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 4.4 tmtt? -65.29 -31.29 72.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . 0.258 42.6 m0 -77.52 -40.57 42.29 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.549 -1.26 . . . . 0.0 112.295 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.61 78.2 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.504 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -46.64 -42.39 16.22 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 125.249 1.42 . . . . 0.0 113.223 174.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HG2' ' OD2' ' A' ' 98' ' ' ASP . 46.5 mmtm -105.51 0.58 26.8 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.882 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.76 35.39 89.8 Favored Glycine 0 N--CA 1.433 -1.564 0 O-C-N 124.05 0.844 . . . . 0.0 112.898 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 1.649 ' HE2' ' CE1' ' A' ' 101' ' ' TYR . 84.0 m-85 -55.53 113.36 1.41 Allowed 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 m -79.82 137.79 37.05 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.288 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.6 tp -68.07 79.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.667 0.746 . . . . 0.0 111.595 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t 174.45 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 126.868 2.067 . . . . 0.0 106.06 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -76.86 -33.28 57.88 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.2 tp -52.54 -29.07 23.43 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.429 -1.259 . . . . 0.0 111.091 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t -59.56 -35.68 74.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.494 ' CG ' ' HZ2' ' A' ' 111' ' ' LYS . 16.2 t70 -84.2 -27.95 27.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.047 -1.061 . . . . 0.0 111.66 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.98 -41.85 99.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.899 0.38 . . . . 0.0 110.757 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.71 -23.65 29.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.742 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.494 ' HZ2' ' CG ' ' A' ' 108' ' ' ASP . 74.7 mmtt 74.62 36.36 0.61 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.239 1.416 . . . . 0.0 110.005 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 m -86.28 71.78 10.45 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.092 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -134.68 79.27 1.79 Allowed 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.0 t 176.97 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -38.08 72.46 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 118.65 0.659 . . . . 0.0 110.811 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.34 81.89 1.51 Allowed Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.996 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 119' ' ' ASP . 14.2 tptp -80.35 -18.57 48.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.309 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -75.78 25.89 0.11 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 121.58 -0.7 . . . . 0.0 112.127 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -44.99 -64.34 0.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.859 1.664 . . . . 0.0 113.264 178.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.75 -39.96 78.59 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 79' ' ' ALA . 3.3 p -78.26 -47.8 23.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.285 -0.566 . . . . 0.0 112.101 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.619 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 68.8 t80 -71.6 -55.23 8.17 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.657 -174.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.467 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 15.2 m120 -63.01 -32.22 73.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.004 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.95 -30.61 65.42 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.673 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 1.669 ' HD1' ' CD2' ' A' ' 125' ' ' TYR . 63.1 t80 -81.55 -23.18 37.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 122.663 -0.316 . . . . 0.0 111.261 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 87.9 mtp -50.79 -33.12 22.13 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.241 0.617 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -54.3 -22.06 10.94 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.777 1.631 . . . . 0.0 113.031 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 1.613 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -69.24 -33.26 73.01 Favored 'General case' 0 C--O 1.193 -1.895 0 CA-C-O 121.231 0.539 . . . . 0.0 111.484 -176.019 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -60.83 -34.15 74.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 124.263 1.025 . . . . 0.0 113.053 -166.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.93 9.77 28.61 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.067 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -136.89 -37.41 0.66 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.472 1.109 . . . . 0.0 110.058 -177.246 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.117 0 N-CA-C 107.519 -2.233 . . . . 0.0 107.519 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.56 81.88 2.01 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 CA-C-N 119.649 1.724 . . . . 0.0 108.444 171.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 -176.45 37.31 Favored Glycine 0 C--O 1.273 2.539 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -174.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -163.04 147.01 11.1 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -85.52 -36.24 20.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.0 0.429 . . . . 0.0 111.008 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.684 ' OD2' ' HA ' ' A' ' 69' ' ' LYS . 47.8 t0 -137.79 152.23 48.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.81 70.77 9.86 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 56.62 33.61 23.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.85 0.86 . . . . 0.0 109.896 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.684 ' HA ' ' OD2' ' A' ' 66' ' ' ASP 0.285 3.8 mmmp? 76.29 102.15 0.07 Allowed 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 125.772 1.629 . . . . 0.0 113.572 -175.72 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -63.64 125.17 23.39 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.419 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.16 -50.86 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 103.078 -2.934 . . . . 0.0 103.078 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 1.7 pttm -47.98 -27.04 2.0 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 113.281 -1.781 . . . . 0.0 115.559 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.39 -32.33 48.76 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.566 -0.708 . . . . 0.0 111.31 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.94 -40.32 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.027 0.531 . . . . 0.0 111.178 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG13 ' HB3' ' A' ' 109' ' ' PHE . 8.6 p -58.28 -27.72 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 121.413 0.625 . . . . 0.0 110.201 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HD2' ' CE2' ' A' ' 118' ' ' TYR . 53.3 mtmt -71.31 -17.86 62.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -38.68 88.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.0 mmm -78.68 -29.53 45.62 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.23 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -65.9 -44.65 84.63 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.002 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.4 -35.69 72.42 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 121.561 0.696 . . . . 0.0 110.294 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.94 -24.21 62.4 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.648 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.435 HD12 ' CG1' ' A' ' 92' ' ' VAL . 72.5 mt -86.33 -42.22 15.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.791 -0.568 . . . . 0.0 109.635 173.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.645 ' SD ' ' HB2' ' A' ' 120' ' ' ARG . 10.0 tpt -51.59 -46.44 63.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.585 1.154 . . . . 0.0 111.679 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.36 -33.39 9.59 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 4.2 p-10 -131.74 70.3 81.15 Favored Pre-proline 0 C--O 1.253 1.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.047 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.17 11.7 1.16 Allowed 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 124.445 3.43 . . . . 0.0 115.415 -168.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -65.45 -27.13 68.29 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.287 0.565 . . . . 0.0 110.521 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 9.3 ptpp? -88.42 -7.36 56.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.811 -178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.08 60.17 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -165.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.7 -56.56 17.93 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.48 -48.15 66.09 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.414 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.435 ' CG1' HD12 ' A' ' 82' ' ' ILE . 11.8 t -69.97 -33.11 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.607 -171.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.648 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 10.6 m-30 -69.27 -50.99 41.9 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 121.277 0.56 . . . . 0.0 109.806 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -43.57 95.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.821 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.674 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 tmmm? -77.49 -17.51 57.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -82.33 -33.7 28.84 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.751 -0.593 . . . . 0.0 109.492 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.85 88.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.071 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.542 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.8 p-10 -80.96 -8.82 59.85 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.383 0.611 . . . . 0.0 109.937 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.674 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -83.81 -14.52 51.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.38 22.68 28.68 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.391 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 1.641 ' HE2' ' CE1' ' A' ' 101' ' ' TYR . 20.8 m-85 -88.12 113.43 23.74 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.507 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.48 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 17.1 m -90.09 145.5 25.02 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 44.8 tp -42.72 -45.19 4.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.778 1.231 . . . . 0.0 112.56 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -67.02 -26.72 66.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.013 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -84.2 -34.78 23.86 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.13 -18.28 63.25 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.267 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.0 m -66.92 -25.63 66.46 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.699 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.76 -41.29 30.98 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.622 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 88.1 m-85 -65.95 -49.09 69.13 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.304 -178.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.25 22.64 0.98 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 123.444 0.698 . . . . 0.0 112.602 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.412 ' HB2' ' HZ3' ' A' ' 111' ' ' LYS . 4.1 ttmp? -59.2 120.31 8.98 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.6 p -132.89 -153.63 0.56 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.135 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.94 -176.43 3.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m 73.31 -48.29 0.68 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.54 1.136 . . . . 0.0 111.847 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 162.91 -22.46 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.118 2.167 . . . . 0.0 108.331 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.02 105.66 0.24 Allowed Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -91.31 -19.83 22.53 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.043 -179.065 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.498 ' CE2' ' HD2' ' A' ' 76' ' ' LYS . 94.5 m-85 -80.43 27.53 0.34 Allowed 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 124.507 1.123 . . . . 0.0 110.942 177.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -49.73 -42.2 45.59 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 124.352 1.061 . . . . 0.0 112.744 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.645 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.6 mmp_? -65.49 -48.77 71.47 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 79' ' ' ALA . 7.1 p -70.72 -37.37 68.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.534 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 1.605 ' HE1' ' CE2' ' A' ' 122' ' ' TYR . 66.1 t80 -70.79 -54.68 10.75 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.906 0.384 . . . . 0.0 110.215 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.475 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 2.8 t-20 -58.17 -37.5 74.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.591 0.756 . . . . 0.0 110.989 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.65 -45.01 79.71 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.636 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -59.18 -26.21 64.6 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.634 0.774 . . . . 0.0 110.999 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.475 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 88.5 mtp -56.26 -22.77 31.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.914 0.886 . . . . 0.0 112.373 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.4 p -64.53 -25.66 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.1 OUTLIER -74.11 -13.87 60.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.126 0.489 . . . . 0.0 110.795 -177.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.563 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 32.2 ttt85 -79.94 13.59 2.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.532 1.158 . . . . 0.0 111.779 -173.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.0 -28.82 57.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 168.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -109.8 -36.09 6.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.238 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.563 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 7.0 p . . . . . 0 C--O 1.248 1.011 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.035 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.04 -57.95 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 123.182 2.588 . . . . 0.0 112.732 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.3 53.42 4.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.633 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.9 mt 63.72 -80.43 0.03 OUTLIER 'General case' 0 C--O 1.24 0.57 0 C-N-CA 125.303 1.441 . . . . 0.0 112.992 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.5 p -72.08 -72.08 0.25 Allowed 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.64 0.734 . . . . 0.0 111.918 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 67' ' ' LEU . 6.0 p-10 -106.05 -101.46 0.34 Allowed 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.316 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 50.8 tp -123.25 -46.57 2.05 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 68' ' ' PHE . 50.0 p90 178.65 119.18 0.04 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 126.143 1.777 . . . . 0.0 108.479 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.485 ' HZ2' ' CD ' ' A' ' 71' ' ' GLU . 14.7 ptmm? -45.64 120.14 2.47 Favored 'General case' 0 C--O 1.266 1.958 0 CA-C-O 122.25 1.024 . . . . 0.0 112.11 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.4 m -126.49 72.92 1.35 Allowed 'General case' 0 N--CA 1.42 -1.956 0 CA-C-O 122.622 1.201 . . . . 0.0 113.118 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 30.1 mp0 -89.33 -13.97 36.73 Favored 'General case' 0 C--O 1.205 -1.254 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -51.45 -35.49 39.83 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.515 1.126 . . . . 0.0 112.843 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.25 -20.78 20.8 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.091 0.472 . . . . 0.0 112.012 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.22 11.68 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.21 -30.62 35.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.76 0 C-N-CA 123.526 0.731 . . . . 0.0 112.698 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -66.99 -26.24 66.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.342 0.591 . . . . 0.0 111.728 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.35 -34.97 36.15 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.9 mtt -68.21 -37.27 80.7 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.306 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 83' ' ' MET . . . -54.49 -46.53 73.45 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.177 0.991 . . . . 0.0 111.585 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -72.3 -28.54 63.16 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.596 178.109 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -67.65 -23.25 65.31 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' A' ' 89' ' ' ALA . 1.8 mp -86.5 -57.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.559 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 25.6 ptt? -67.04 -27.44 67.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -170.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.49 20.53 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.995 0.426 . . . . 0.0 110.682 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.661 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -136.94 67.5 56.7 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.99 -22.02 52.97 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 123.354 2.702 . . . . 0.0 115.536 -170.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 p -74.26 -27.15 60.62 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -87.79 -7.58 57.11 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.928 0.871 . . . . 0.0 110.859 -177.101 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HA ' HG13 ' A' ' 82' ' ' ILE . . . -60.13 -42.66 95.31 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -167.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.2 -41.11 90.62 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.328 0.513 . . . . 0.0 111.857 -173.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.23 -35.48 71.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.516 0.674 . . . . 0.0 110.282 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.52 -30.12 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.904 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.08 -44.69 96.13 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -22.94 61.43 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.487 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.1 tmtm? -77.64 -34.15 53.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.438 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.4 m0 -73.65 -36.26 65.37 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.91 85.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -52.59 -31.97 38.93 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.429 0.692 . . . . 0.0 111.813 172.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 3.27 37.45 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.535 -0.728 . . . . 0.0 111.506 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.94 75.81 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.275 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -74.33 131.64 41.33 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.85 0.833 . . . . 0.0 111.996 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.534 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 9.4 t -112.28 172.3 6.99 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 103' ' ' LEU . 1.6 mm? -53.99 -57.03 12.55 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.792 0.837 . . . . 0.0 111.284 -173.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 t -58.92 -31.0 68.24 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.03 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.87 -36.16 21.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.016 0.436 . . . . 0.0 110.877 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.18 -34.56 78.3 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -58.42 -35.24 71.77 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 16.2 t70 -77.46 -27.4 52.07 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.246 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 1.67 ' HD1' ' CD2' ' A' ' 109' ' ' PHE . 50.5 m-85 -70.45 -20.63 62.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.119 0.485 . . . . 0.0 110.167 176.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.38 -50.14 6.51 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 108' ' ' ASP . 20.9 ttmm 49.35 70.34 0.49 Allowed 'General case' 0 C--O 1.257 1.477 0 C-N-CA 125.502 1.521 . . . . 0.0 111.833 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.5 m -91.68 152.91 20.01 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.544 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -122.02 150.7 41.73 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.9 m 75.79 -49.27 0.61 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.228 1.411 . . . . 0.0 111.005 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -169.95 164.3 9.56 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.28 132.49 52.09 Favored Glycine 0 N--CA 1.432 -1.595 0 O-C-N 123.867 0.729 . . . . 0.0 111.446 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -93.6 -21.91 19.12 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -115.67 26.38 10.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.975 -1.92 . . . . 0.0 108.109 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -54.2 -41.92 69.15 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.116 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -49.98 -53.48 26.22 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.88 1.272 . . . . 0.0 111.241 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -32.42 44.03 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.83 -49.3 68.7 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.7 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.56 -46.81 87.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.309 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.22 -29.47 75.37 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.71 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 1.627 ' HE1' ' CE2' ' A' ' 125' ' ' TYR . 24.9 t80 -72.34 -31.54 65.73 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.641 -0.329 . . . . 0.0 110.354 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 87.9 mtp -54.3 -30.23 50.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.155 0.582 . . . . 0.0 112.311 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -63.38 -18.73 63.99 Favored 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 123.892 0.877 . . . . 0.0 111.76 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 1.606 ' HD1' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -72.52 -12.87 61.26 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.849 -1.157 . . . . 0.0 110.838 -179.173 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.7 mmm180 -64.46 -21.34 66.63 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.23 6.85 31.12 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.511 0.672 . . . . 0.0 110.129 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 1.65 ' HE2' ' CE1' ' A' ' 131' ' ' TYR . 66.5 t80 -105.39 -38.66 6.41 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.156 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 177.073 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.412 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -55.35 -31.78 62.01 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.416 172.575 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 77' ' ' LYS . . . -79.1 -20.03 49.72 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.302 -0.249 . . . . 0.0 110.777 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.02 17.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.471 HG13 ' HZ2' ' A' ' 96' ' ' TRP . 51.1 t -56.82 -44.11 81.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.45 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HG2' HD23 ' A' ' 110' ' ' LEU . 67.6 mttm -59.61 -25.31 64.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 48.5 mmtm -75.6 -42.79 50.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.3 mtt -62.34 -48.3 80.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -55.01 -52.89 61.74 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.608 -177.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -65.94 -22.38 66.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.82 -41.52 17.44 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.891 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.502 HD12 ' HE2' ' A' ' 88' ' ' LYS . 1.7 mp -65.77 -37.71 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 80' ' ' LYS . 25.4 ptm -69.84 -13.54 62.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -95.95 -61.8 1.39 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.16 132.42 23.27 Favored Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.326 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -94.67 10.05 1.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.755 2.304 . . . . 0.0 111.86 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -77.7 -51.99 9.69 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.328 0.585 . . . . 0.0 110.125 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HE2' HD12 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -87.24 -7.08 58.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.482 0.658 . . . . 0.0 110.544 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.87 -44.7 74.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.612 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 38.4 t70 -65.19 -35.01 79.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -175.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 18.8 t70 -60.26 -38.36 83.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.728 176.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.6 t -75.53 -28.16 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.612 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 22.1 m-30 -63.54 -45.48 90.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.73 -36.87 81.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.661 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 91' ' ' ASP . 42.7 mmtm -56.39 -31.64 64.05 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 123.645 0.591 . . . . 0.0 111.521 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.52 ' CH2' HD13 ' A' ' 106' ' ' LEU . 4.6 m95 -68.54 -37.46 79.99 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.64 -32.78 41.68 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 121.637 0.732 . . . . 0.0 109.029 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -22.92 62.9 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.077 1.351 . . . . 0.0 111.948 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -106.04 4.66 29.52 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.95 -6.24 81.84 Favored Glycine 0 C--N 1.311 -0.832 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.833 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.422 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 85.4 m-85 -61.1 134.65 57.27 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.989 0.395 . . . . 0.0 110.176 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.5 m -127.43 89.44 2.96 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.9 tp 31.8 -79.68 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.127 2.571 . . . . 0.0 116.905 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -59.16 -22.44 60.94 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.427 0.691 . . . . 0.0 111.652 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.443 ' HG2' ' CE2' ' A' ' 109' ' ' PHE . 62.0 tt0 -62.18 -23.34 66.55 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.505 1.122 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.52 HD13 ' CH2' ' A' ' 96' ' ' TRP . 64.4 tp -62.56 -22.9 66.69 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.38 0.672 . . . . 0.0 110.646 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -65.44 -28.02 68.94 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.453 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.59 -36.3 24.03 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.263 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.443 ' CE2' ' HG2' ' A' ' 105' ' ' GLN . 21.3 m-85 -69.38 -44.62 71.13 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.889 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 118' ' ' TYR . 70.3 mt -99.52 -22.49 15.46 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 mptt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 122.374 1.083 . . . . 0.0 110.102 -172.124 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.606 ' HB3' HD13 ' A' ' 110' ' ' LEU . 36.9 m-85 . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -53.44 -63.18 1.23 Allowed 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.024 0.929 . . . . 0.0 113.282 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -55.02 -41.32 71.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.959 0.903 . . . . 0.0 112.268 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -74.67 -38.32 44.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.807 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -62.73 -48.36 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -61.19 -40.68 94.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.684 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.17 -42.71 97.29 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.961 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -71.86 -22.93 61.45 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.41 -39.97 85.15 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.749 -0.595 . . . . 0.0 109.625 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.504 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 11.3 m -68.01 -18.53 64.74 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 114.526 -1.215 . . . . 0.0 113.331 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CB ' ' HB3' ' A' ' 93' ' ' TYR . 2.9 p90 -69.27 -25.69 64.39 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 117.77 -1.572 . . . . 0.0 111.151 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.558 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -76.45 -9.44 58.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 9.7 m-20 -83.78 -15.41 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -109.76 -37.63 5.6 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.558 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 5.2 m . . . . . 0 C--N 1.325 -0.481 0 C-N-CA 123.73 0.812 . . . . 0.0 110.417 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 75' ' ' VAL 0.347 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 . . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -68.42 -27.09 65.89 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.713 174.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.724 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -74.33 -34.62 63.48 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.53 85.91 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 120.998 0.427 . . . . 0.0 109.859 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 71' ' ' GLU . 55.6 t -60.93 -43.52 96.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.503 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 57.1 mtpt -70.98 -22.39 62.19 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 64.0 mttp -61.81 -46.52 89.14 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.4 mtp -76.01 -37.58 58.27 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.251 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . . . -60.08 -45.64 92.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.073 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -33.85 72.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.558 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.62 -27.3 62.07 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.357 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.409 HD11 HG11 ' A' ' 92' ' ' VAL . 74.0 mt -76.62 -35.33 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.583 0.706 . . . . 0.0 109.442 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.44 -32.67 73.57 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.766 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.12 -37.1 16.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.489 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.563 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 1.6 t70 -136.19 116.02 11.11 Favored Pre-proline 0 N--CA 1.441 -0.883 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.484 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -91.12 3.66 4.38 Favored 'Trans proline' 0 N--CA 1.444 -1.433 0 C-N-CA 122.753 2.302 . . . . 0.0 113.677 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -69.24 -47.66 64.1 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.017 0.437 . . . . 0.0 111.019 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.66 -3.57 59.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.492 0.663 . . . . 0.0 111.926 -177.488 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.71 -47.88 15.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.726 -1.124 . . . . 0.0 113.353 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.68 -40.91 92.86 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.564 0.221 . . . . 0.0 111.458 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.58 -41.03 69.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.453 0.701 . . . . 0.0 109.478 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 82' ' ' ILE . 53.1 t -75.31 -34.71 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.856 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HD1' ' A' ' 125' ' ' TYR . 18.6 m-30 -63.71 -44.85 92.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -61.08 -40.6 94.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.727 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.2 tmtm? -69.6 -34.09 73.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.921 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.429 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.8 m0 -72.3 -31.39 65.66 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 122.152 -0.342 . . . . 0.0 111.352 176.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.81 83.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.47 ' CG ' ' HZ3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -57.34 -25.11 58.89 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.524 1.13 . . . . 0.0 111.514 173.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HZ3' ' CG ' ' A' ' 98' ' ' ASP . 12.8 mmtm -105.72 3.07 28.55 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.68 16.11 80.85 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.286 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 96' ' ' TRP . 66.4 m-85 -64.81 131.0 45.58 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.062 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.527 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 20.8 p -114.39 143.82 44.29 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.162 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -47.83 -40.91 22.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.265 1.026 . . . . 0.0 112.264 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -63.94 -37.4 87.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.983 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -84.75 -32.46 23.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 3.2 tm? -58.18 -35.44 71.6 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.023 0.929 . . . . 0.0 109.326 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.9 m -57.87 -35.8 71.47 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.26 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.74 -36.73 23.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 61.6 m-85 -58.08 -49.18 77.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.539 0.685 . . . . 0.0 110.687 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.37 -34.21 36.64 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.683 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -176.737 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.27 -48.11 12.91 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 126.312 1.845 . . . . 0.0 110.545 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -59.81 -56.41 22.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.942 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.14 -36.63 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.969 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -71.84 -53.51 13.04 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -36.39 80.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.26 76.62 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.435 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.501 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 50.2 t80 -59.2 -35.59 73.85 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.369 0.668 . . . . 0.0 112.158 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -49.31 -36.47 21.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.36 0.664 . . . . 0.0 112.051 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -58.81 -19.65 43.09 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.237 1.015 . . . . 0.0 112.025 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.7 OUTLIER -69.87 -13.58 62.33 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.737 -0.602 . . . . 0.0 110.481 -178.499 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmm180 -65.29 -23.64 67.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.43 20.37 19.01 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.978 0.894 . . . . 0.0 108.657 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -122.89 -39.03 2.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.614 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 63.0 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.264 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' OE2' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 111.589 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HG2' ' OE2' ' A' ' 71' ' ' GLU . 2.0 ptpp? -59.81 -36.12 76.12 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.162 0.506 . . . . 0.0 111.252 174.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.34 -18.9 61.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.913 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.11 -53.33 5.34 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.49 -36.78 66.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.996 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 66.7 mttm -56.0 -31.01 62.68 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -41.17 79.35 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.3 -42.62 75.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.57 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -60.19 -52.13 66.61 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.656 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -21.28 64.85 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 120.88 0.371 . . . . 0.0 111.88 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.19 65.18 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.925 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.29 -35.58 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.703 0.763 . . . . 0.0 109.407 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.21 -29.2 63.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.468 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.46 -54.85 3.11 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.527 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.7 t70 -110.73 126.8 28.06 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.922 -175.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -93.1 -7.83 2.48 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 122.581 2.187 . . . . 0.0 113.465 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -66.48 -42.9 86.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 121.153 0.501 . . . . 0.0 111.99 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -87.68 -4.91 58.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.23 -50.26 39.3 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.08 -46.72 45.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.565 0.746 . . . . 0.0 112.147 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 2.7 t70 -62.17 -42.81 99.63 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.626 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.17 -35.87 65.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.733 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.76 -52.87 62.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.27 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 5.1 pp0? -66.75 -31.87 72.79 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.179 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 3.3 ttmp? -72.74 -43.11 63.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.926 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -61.93 -35.45 78.46 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.652 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.93 82.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.392 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.54 -30.02 61.59 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.238 0.542 . . . . 0.0 110.553 -178.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -82.99 0.04 46.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.717 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.47 14.45 78.37 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.914 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.01 114.09 17.67 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.396 1.093 . . . . 0.0 110.952 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.524 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.6 p -94.18 156.24 16.65 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.83 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.9 tp -48.94 -41.73 34.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.803 0.841 . . . . 0.0 111.675 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.7 t -66.19 -31.77 72.8 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.794 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.39 -38.15 42.38 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.66 -31.64 69.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.557 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.7 m -59.15 -33.85 71.39 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.576 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.462 ' HA ' ' HZ2' ' A' ' 111' ' ' LYS . 30.6 t70 -70.72 -45.82 64.19 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.783 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.21 -34.67 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.284 0.99 . . . . 0.0 110.844 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.65 -42.13 18.56 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.755 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' A' ' 111' ' ' LYS . 3.3 ttpm? . . . . . 0 N--CA 1.484 1.244 0 C-N-CA 124.062 0.945 . . . . 0.0 111.872 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -50.24 -63.13 1.21 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.16 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.57 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -85.14 -48.26 16.48 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.243 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.265 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -79.84 -54.65 5.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -64.56 -36.69 85.02 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 123.658 0.783 . . . . 0.0 109.935 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.79 -38.95 86.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.983 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.41 -26.81 64.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 122.672 -0.311 . . . . 0.0 111.002 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 48.6 ttm -51.77 -36.45 47.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.82 0.848 . . . . 0.0 112.059 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.6 m -60.16 -18.07 45.28 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 124.244 1.018 . . . . 0.0 112.826 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.524 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -67.32 -16.7 64.41 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 120.713 -1.242 . . . . 0.0 110.613 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -75.41 -12.33 60.23 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.279 0.631 . . . . 0.0 112.042 -178.432 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.02 -6.96 58.95 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -118.92 -36.34 3.45 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.65 -178.708 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.189 -2.086 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 13.7 ptpt -55.31 -33.36 63.23 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.42 -23.19 53.98 Favored 'General case' 0 C--O 1.263 1.787 0 CA-C-O 121.583 0.706 . . . . 0.0 110.518 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -34.41 22.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.782 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 71' ' ' GLU . 89.5 t -54.98 -55.49 15.77 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.588 0 O-C-N 123.753 0.658 . . . . 0.0 110.033 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.44 -27.98 67.93 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -44.62 56.31 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -79.9 -25.84 40.43 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.181 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.295 0.638 . . . . 0.0 109.949 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -37.32 85.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.591 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.16 68.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.468 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.22 -38.81 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-O 120.966 0.412 . . . . 0.0 111.225 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.0 ttp -65.47 -25.42 67.49 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 111.666 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.21 -38.83 16.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.511 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -149.28 122.29 4.45 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.259 0.623 . . . . 0.0 110.729 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.23 12.17 2.36 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.769 2.313 . . . . 0.0 114.009 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -69.44 -32.84 72.04 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.721 -0.612 . . . . 0.0 111.685 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -88.38 -7.05 57.29 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 121.865 -0.522 . . . . 0.0 111.342 178.612 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.54 ' HB1' ' CZ ' ' A' ' 93' ' ' TYR . . . -47.73 -59.51 3.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -46.97 -49.75 20.18 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.04 -35.3 71.92 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.782 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 57.9 t -67.07 -33.63 64.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.54 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 17.1 m-30 -67.9 -42.25 81.44 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -57.99 -45.7 86.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.745 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.99 -17.57 63.29 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.851 -179.313 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.414 ' NE1' HG22 ' A' ' 75' ' ' VAL . 12.3 m0 -81.59 -27.52 34.23 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.493 0.187 . . . . 0.0 111.054 174.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.64 92.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.7 -33.19 66.21 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.8 1.24 . . . . 0.0 111.276 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 44.9 mmtm -82.25 -3.63 55.55 Favored 'General case' 0 C--O 1.255 1.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.935 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.34 35.94 18.89 Favored Glycine 0 N--CA 1.432 -1.606 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.913 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -104.76 117.05 33.11 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.612 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.54 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.7 m -109.31 89.41 2.99 Favored 'General case' 0 N--CA 1.424 -1.754 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.695 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.6 tp 57.13 -78.23 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -63.39 -24.92 68.05 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 124.573 1.149 . . . . 0.0 113.243 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -63.22 -21.23 66.09 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.674 0.789 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 125' ' ' TYR . 18.0 tp -64.12 -18.59 64.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.974 0.416 . . . . 0.0 110.573 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.2 m -63.14 -33.25 75.06 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.141 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.32 -39.32 33.1 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.464 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 16.8 m-85 -67.08 -46.5 74.07 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.168 -177.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 118' ' ' TYR . 7.0 mp -81.68 -32.75 31.62 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.025 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 108.279 -179.506 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.405 ' HB3' HD23 ' A' ' 110' ' ' LEU . 99.3 m-85 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 120.697 0.284 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -36.99 -63.5 0.42 Allowed 'General case' 0 C--O 1.247 0.931 0 C-N-CA 126.63 1.972 . . . . 0.0 114.439 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -65.09 -41.2 95.21 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -75.28 -36.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.032 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -65.81 -57.83 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.085 0.469 . . . . 0.0 110.694 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.92 -23.46 61.47 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.872 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.33 -33.93 68.7 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.536 ' CD2' HD22 ' A' ' 106' ' ' LEU . 57.4 t80 -63.92 -32.15 73.58 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.632 0.773 . . . . 0.0 110.832 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -48.98 -39.06 25.09 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 0.0 112.412 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -55.19 -20.17 9.82 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.966 1.307 . . . . 0.0 113.151 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.54 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 1.1 p90 -74.5 -14.07 60.77 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.185 -0.947 . . . . 0.0 110.503 -177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -64.59 -20.21 66.12 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.77 2.85 56.53 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 123.616 0.573 . . . . 0.0 111.472 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 128' ' ' TYR . 26.6 m-85 -107.16 -38.69 5.92 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.282 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -178.393 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' OE1' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -66.0 -27.84 68.43 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.255 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 -19.41 24.1 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.687 0.756 . . . . 0.0 110.031 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.35 -46.1 18.31 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.552 0.741 . . . . 0.0 110.55 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.28 -34.2 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.524 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 62.6 mttp -61.03 -27.49 68.37 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.831 0.348 . . . . 0.0 111.398 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -65.67 -43.62 88.76 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.767 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -80.74 -32.5 35.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.549 ' O ' HG21 ' A' ' 121' ' ' VAL . . . -53.44 -59.29 4.77 Favored 'General case' 0 C--O 1.205 -1.281 0 O-C-N 123.772 0.67 . . . . 0.0 110.196 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.1 pptp? -63.5 -22.29 66.81 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.439 0.638 . . . . 0.0 111.988 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.04 44.3 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 120.981 0.42 . . . . 0.0 110.161 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 76.8 mt -83.23 -31.23 8.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 11.8 ttt -44.69 -42.29 7.45 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.997 1.319 . . . . 0.0 110.761 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.27 -61.5 1.64 Allowed 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.113 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 6.6 t70 -99.0 118.09 63.28 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.72 -0.7 4.45 Favored 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.877 2.385 . . . . 0.0 112.993 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -75.29 -50.19 16.85 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HB3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -70.28 -6.04 32.1 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.844 0.83 . . . . 0.0 112.488 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.407 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -57.06 -36.12 70.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.926 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.32 -50.54 72.6 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 122.811 0.444 . . . . 0.0 111.8 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.35 -50.58 64.73 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.2 0.6 . . . . 0.0 111.397 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.92 -33.33 60.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.639 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 3.0 m-85 -64.24 -37.04 86.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.086 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -40.86 63.13 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.997 177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 8.8 tmtt? -60.07 -33.6 72.29 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.915 0.76 . . . . 0.0 109.442 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 101' ' ' TYR . 12.1 m0 -68.39 -47.9 66.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.739 -0.785 . . . . 0.0 111.961 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.05 76.94 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.013 0.435 . . . . 0.0 110.357 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.522 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -51.81 -38.91 57.63 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.993 1.717 . . . . 0.0 113.152 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.645 ' HB2' ' CE1' ' A' ' 101' ' ' TYR . 27.8 mmtm -106.67 2.7 26.06 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.01 70.38 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.308 -0.948 . . . . 0.0 112.684 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.645 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 96.6 m-85 -57.09 114.2 2.03 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.2 m -95.34 142.12 28.11 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.074 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -45.42 -38.23 5.84 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.93 1.292 . . . . 0.0 113.643 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.7 t -64.67 -30.51 71.53 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.2 -28.63 25.31 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.508 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 1.6 tm? -61.13 -39.65 90.82 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.7 t -64.0 -19.04 64.88 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.245 0.618 . . . . 0.0 111.949 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.86 -35.72 29.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.505 0.669 . . . . 0.0 109.287 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 6.8 m-85 -71.72 -48.02 49.99 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.169 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD13 HD13 ' A' ' 106' ' ' LEU . 8.9 mp -97.58 34.34 1.86 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.033 0.933 . . . . 0.0 110.312 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 111' ' ' LYS . 39.4 ttmt . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.372 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -62.79 1.43 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.23 0.956 . . . . 0.0 111.828 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -47.67 -46.37 29.08 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.664 0.602 . . . . 0.0 111.355 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.549 HG21 ' O ' ' A' ' 79' ' ' ALA 0.345 12.7 t -66.16 -54.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.379 0.0 OUTLIER -85.03 -21.16 29.53 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 116.884 -1.927 . . . . 0.0 114.867 -177.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.14 76.7 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.28 50.05 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.508 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 48.9 t80 -60.89 -44.42 97.12 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.2 ptp -55.12 -22.79 18.05 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -59.6 -19.45 48.99 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.84 0.856 . . . . 0.0 111.226 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.32 -15.31 63.61 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.634 -0.666 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 6.2 mmm180 -66.69 -26.24 66.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.49 9.07 41.4 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.413 0.625 . . . . 0.0 109.928 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -120.75 -36.73 3.11 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.738 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.77 179.583 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 75' ' ' VAL . 36.6 mt-10 . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -53.31 -39.8 64.31 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.45 -18.87 59.76 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.154 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -33.89 22.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 71' ' ' GLU . 71.8 t -53.91 -37.8 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.279 0.632 . . . . 0.0 110.608 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 110' ' ' LEU . 35.8 mtmt -65.85 -17.95 65.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.61 -41.62 62.56 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.468 ' O ' HG12 ' A' ' 82' ' ' ILE . 97.0 mmm -77.68 -33.64 53.24 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.816 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -59.91 -37.33 79.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -60.03 -38.68 83.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.158 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.59 -30.85 64.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.008 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 78' ' ' MET . 46.7 mm -72.38 -38.24 60.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.742 0.782 . . . . 0.0 108.901 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.4 ttm -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.383 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.53 -55.56 4.6 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.888 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.588 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.0 t70 -122.77 125.34 26.4 Favored Pre-proline 0 C--O 1.247 0.97 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.292 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -93.15 -1.92 3.46 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 122.843 2.362 . . . . 0.0 113.418 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -71.59 -45.52 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -86.72 -5.63 59.06 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.622 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 82' ' ' ILE . . . -54.75 -37.69 66.24 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.45 -49.0 68.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.381 0.426 . . . . 0.0 111.925 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -53.83 -47.4 70.96 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.477 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.0 t -71.44 -29.97 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.083 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.636 -174.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 20.4 m-30 -66.06 -39.85 90.42 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.351 0.595 . . . . 0.0 109.752 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -30.42 45.8 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.862 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 4.8 tmtm? -71.17 -21.72 62.13 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 27.1 m0 -82.49 -31.32 29.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.908 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.49 87.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.187 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.511 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 2.4 p30 -67.27 -30.37 70.23 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.078 0.466 . . . . 0.0 111.402 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -80.46 -5.34 56.44 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.663 0.744 . . . . 0.0 110.42 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.54 33.68 37.93 Favored Glycine 0 N--CA 1.408 -3.175 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.276 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.79 155.47 19.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.481 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 59.3 m -148.13 152.75 37.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.7 tp -45.07 -47.92 11.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.267 1.027 . . . . 0.0 113.083 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -65.68 -27.22 68.2 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 120.981 0.42 . . . . 0.0 112.007 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.584 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 125' ' ' TYR . 16.0 tp -67.13 -29.5 69.24 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.7 m -58.74 -29.35 66.67 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.188 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -85.78 -41.23 15.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.184 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.442 ' O ' ' HD3' ' A' ' 76' ' ' LYS . 14.6 m-30 -63.53 -50.15 70.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.034 0.445 . . . . 0.0 111.698 -175.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 6.5 mp -79.69 -30.55 41.13 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 121.94 0.876 . . . . 0.0 108.893 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptp . . . . . 0 N--CA 1.428 -1.56 0 CA-C-N 112.321 -2.218 . . . . 0.0 111.611 -179.486 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.218 -0.601 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -64.05 -30.13 71.22 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 118.975 0.807 . . . . 0.0 111.783 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -46.1 76.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.899 0.88 . . . . 0.0 109.473 174.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.404 HG11 ' HB1' ' A' ' 79' ' ' ALA . 7.6 p -83.9 -33.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.962 0.41 . . . . 0.0 111.201 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -59.89 -53.27 59.91 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.568 0.747 . . . . 0.0 110.494 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -62.42 -34.57 77.02 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.697 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.49 -37.93 86.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.688 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.6 ' CD2' HD22 ' A' ' 106' ' ' LEU . 77.7 t80 -69.26 -35.5 76.15 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.4 ttt -51.82 -37.49 52.01 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.498 0.719 . . . . 0.0 111.633 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.45 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 15.9 m -56.21 -18.84 11.43 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 124.765 1.226 . . . . 0.0 113.538 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.713 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -69.23 -18.44 63.88 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.642 -1.286 . . . . 0.0 111.232 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.635 ' NH1' ' HA ' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -71.54 -20.99 61.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.37 179.131 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 5.0 m-20 -84.02 -8.16 59.21 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.532 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.713 ' CE2' ' HA ' ' A' ' 128' ' ' TYR . 51.3 p90 -128.88 -37.2 1.74 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.505 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.2 mt-10 . . . . . 0 C--O 1.214 -0.767 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -29.93 45.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.33 -19.79 30.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.71 15.23 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG13 ' CZ2' ' A' ' 96' ' ' TRP . 78.1 t -54.38 -43.93 64.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.278 1.031 . . . . 0.0 112.229 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.81 -29.46 62.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -40.49 47.08 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.802 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.7 mmt -73.11 -26.18 61.14 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.495 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.99 82.3 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.63 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -69.35 -26.83 64.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.251 -0.98 . . . . 0.0 110.386 177.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -64.82 -24.32 67.51 Favored 'General case' 0 C--O 1.197 -1.678 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.851 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.48 -44.62 17.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.761 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 21.0 ptt? -82.71 -21.9 34.66 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -173.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.04 -40.95 6.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.773 0.321 . . . . 0.0 111.357 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.642 ' OD2' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -125.53 64.94 50.14 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.284 -176.688 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.92 1.58 2.24 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.946 3.097 . . . . 0.0 115.583 -168.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 t -69.46 -39.68 77.6 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.057 0.456 . . . . 0.0 109.782 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -88.67 -5.2 58.28 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.0 -41.4 11.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -50.12 -53.63 26.12 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -60.27 -25.98 66.12 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.874 0.369 . . . . 0.0 111.93 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.61 -43.35 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 125' ' ' TYR . 6.9 m-85 -61.46 -42.74 99.24 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 120.937 0.399 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -23.67 59.44 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.457 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 12.8 tmtt? -78.51 -34.23 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.499 ' CZ2' HG13 ' A' ' 75' ' ' VAL . 38.9 m0 -75.5 -35.09 60.87 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.952 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.13 77.05 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.78 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.56 67.05 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -100.67 0.78 39.75 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.04 77.36 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.465 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -69.75 114.1 7.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.611 0.719 . . . . 0.0 109.53 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.508 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 18.0 p -100.63 166.33 10.95 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.648 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.21 -35.54 49.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.649 1.18 . . . . 0.0 112.967 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.7 t -74.72 -33.97 62.48 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.792 0.329 . . . . 0.0 111.435 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -83.1 -22.08 33.51 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.617 0.723 . . . . 0.0 109.133 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.435 HD11 ' CZ3' ' A' ' 96' ' ' TRP . 15.8 tp -64.92 -19.5 65.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.123 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 111' ' ' LYS . 41.1 t -69.28 -26.54 64.81 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.075 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.91 -20.96 29.91 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.943 0.878 . . . . 0.0 110.054 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -93.78 -50.12 5.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.91 -49.59 4.73 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 107' ' ' SER . 23.0 tptp . . . . . 0 C--N 1.286 -2.169 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.897 -165.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 C--O 1.215 -0.741 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.46 -57.36 4.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.282 1.433 . . . . 0.0 111.926 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -58.74 -42.06 87.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.967 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -79.87 -43.07 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.542 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.02 -60.88 2.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.187 0.595 . . . . 0.0 109.729 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.779 0.832 . . . . 0.0 110.811 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.12 72.41 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.562 ' O ' ' HD1' ' A' ' 128' ' ' TYR . 16.4 m-85 -71.09 -22.63 62.08 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 52.1 ttm -48.77 -34.01 11.42 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 m -68.67 -24.57 64.53 Favored 'General case' 0 C--O 1.196 -1.76 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.562 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.5 OUTLIER -70.94 -12.31 61.46 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-N 118.459 0.572 . . . . 0.0 111.555 -174.186 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -60.47 -5.86 1.36 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -174.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.24 -17.88 17.12 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 118.226 0.466 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.14 -37.65 8.48 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.242 0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.099 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -65.34 -46.47 80.11 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.07 60.38 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.325 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.97 -56.62 3.47 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.93 -36.35 77.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -67.97 -17.66 64.5 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.52 -39.04 58.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.9 mtt -74.76 -37.45 62.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -58.31 -40.55 82.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.032 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -35.46 76.25 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.243 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.45 -39.81 81.34 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.623 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 57.6 mt -79.31 -23.0 12.41 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 CA-C-O 122.043 0.925 . . . . 0.0 110.463 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -64.96 -22.33 66.98 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.728 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.82 -55.73 2.37 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.496 0.665 . . . . 0.0 109.475 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.6 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 24.5 t0 -98.9 112.38 62.73 Favored Pre-proline 0 C--N 1.311 -1.086 0 C-N-CA 124.555 1.142 . . . . 0.0 110.566 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -95.9 5.83 1.97 Allowed 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 122.479 2.12 . . . . 0.0 112.878 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 t -92.63 -35.77 13.35 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 109.954 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -8.41 59.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.16 0.505 . . . . 0.0 110.352 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' CZ ' ' A' ' 93' ' ' TYR . . . -51.56 -45.96 63.25 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.27 -50.3 73.34 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -39.56 60.99 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.66 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.563 ' HB ' HD11 ' A' ' 82' ' ' ILE . 26.7 t -78.08 -38.54 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.839 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.439 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 16.6 m-30 -62.75 -48.2 80.24 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -57.11 -43.07 81.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.381 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.9 ptpp? -78.46 -27.26 46.33 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.416 -178.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -62.41 -28.15 69.59 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.98 -38.72 79.51 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.315 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -28.23 48.69 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.421 0.629 . . . . 0.0 109.724 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -81.56 0.76 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.784 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.3 9.24 85.28 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.103 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -93.31 113.13 25.23 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -105.63 165.97 10.78 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.991 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.3 tp -43.91 -54.1 5.59 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.758 1.223 . . . . 0.0 112.543 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -60.84 -35.93 77.81 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -85.12 -27.44 26.24 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 121.055 0.455 . . . . 0.0 110.1 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.88 -27.55 66.76 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.896 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -64.26 -31.92 73.31 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.57 -52.97 62.9 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.371 0.668 . . . . 0.0 110.275 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.02 -49.8 54.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.318 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 121' ' ' VAL . 8.1 mp -75.31 -17.96 60.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -167.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.1 mttp . . . . . 0 C--N 1.298 -1.67 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 . . . . . 0 CA--C 1.499 -1.006 0 CA-C-O 121.593 0.711 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.56 -19.07 61.56 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.646 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -55.83 -54.35 45.63 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-O 121.344 0.592 . . . . 0.0 109.86 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 79' ' ' ALA . 2.9 p -69.4 -32.05 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.518 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -64.6 -52.01 59.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 111.233 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -32.53 74.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.12 -32.22 58.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.895 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.43 -31.51 72.23 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.275 1.03 . . . . 0.0 111.532 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.9 tpt -51.74 -28.48 15.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.076 0.95 . . . . 0.0 112.246 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.3 m -57.59 -23.76 52.61 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.81 0.844 . . . . 0.0 112.247 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.513 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -72.86 -17.73 61.5 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.711 -0.618 . . . . 0.0 111.212 -176.773 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.522 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -70.32 0.39 6.55 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.027 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -86.04 -26.76 25.18 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -117.67 -28.47 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.522 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 45.5 t . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.15 -41.47 62.6 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.516 ' O ' ' HD3' ' A' ' 77' ' ' LYS . . . -68.12 -29.38 68.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.771 0.319 . . . . 0.0 111.832 -176.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.76 -43.4 14.29 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.004 0.43 . . . . 0.0 109.983 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG13 ' CZ2' ' A' ' 96' ' ' TRP . 90.7 t -61.16 -35.2 64.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.621 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 28.7 mtpp -67.57 -24.0 65.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 73' ' ' ALA . 5.3 mptp? -82.62 -35.13 27.29 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.281 0.562 . . . . 0.0 109.521 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.1 mmt -72.29 -26.51 61.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.248 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.1 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 80' ' ' LYS . 11.6 tmtt? -61.19 -44.4 97.35 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -60.44 -23.88 64.76 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.418 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.5 -59.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.9 ttp -58.56 -45.06 89.79 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.231 -173.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.52 -25.5 19.23 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 123.881 0.738 . . . . 0.0 112.015 -175.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 5.2 m-20 -112.75 79.99 3.56 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.1 -34.14 29.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.223 1.949 . . . . 0.0 114.959 -168.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -82.48 -18.41 41.76 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.646 0.736 . . . . 0.0 109.721 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HE2' ' HB1' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -87.94 -15.08 37.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.699 -178.836 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.83 -37.99 20.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.86 -38.61 88.91 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 120.639 0.256 . . . . 0.0 111.155 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -37.52 61.76 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.683 0.754 . . . . 0.0 110.961 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 18.9 t -81.8 -40.3 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.33 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -62.47 -48.89 77.62 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -61.11 -43.02 99.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.178 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.0 ptpp? -75.18 -28.93 60.23 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.9 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.459 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 25.0 m0 -66.17 -23.48 66.47 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.756 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.89 66.58 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.426 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -24.93 56.08 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.483 0.659 . . . . 0.0 109.702 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.612 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -75.41 -6.68 51.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.387 175.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.89 7.53 64.33 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.459 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -77.23 114.11 15.69 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.233 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.7 24.6 10.93 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.201 1.4 . . . . 0.0 113.255 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 125' ' ' TYR . 69.1 tp 62.79 73.64 0.46 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.331 1.062 . . . . 0.0 110.907 -174.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.63 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.196 -1.366 . . . . 0.0 109.766 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -58.83 -26.17 63.9 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.835 1.254 . . . . 0.0 112.09 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 125' ' ' TYR . 23.4 tp -53.55 -33.12 53.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.11 0.964 . . . . 0.0 111.223 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -60.61 -33.03 72.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.436 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.44 -42.59 15.48 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.38 -0.528 . . . . 0.0 112.273 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -58.49 -48.93 79.18 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.902 0.858 . . . . 0.0 111.025 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 118' ' ' TYR . 7.8 mp -71.76 -47.55 52.9 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm . . . . . 0 C--N 1.308 -1.201 0 C-N-CA 126.879 2.072 . . . . 0.0 111.895 171.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HB3' HD23 ' A' ' 110' ' ' LEU . 21.4 m-85 . . . . . 0 CA--C 1.559 1.296 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.57 -64.35 0.75 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.537 1.535 . . . . 0.0 113.6 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -75.05 -32.97 61.67 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.74 -40.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.216 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -69.13 -53.19 21.45 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.042 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.57 -47.44 84.25 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.629 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.55 -43.21 99.14 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.596 ' CD2' HD22 ' A' ' 106' ' ' LEU . 71.5 t80 -62.09 -51.2 68.88 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.718 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -57.69 -22.07 44.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.3 m -67.24 -19.71 65.56 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.536 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 1.5 p90 -68.95 -13.36 62.4 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.555 -0.716 . . . . 0.0 111.357 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.504 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 18.3 mmm-85 -66.71 2.94 1.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.35 -31.13 57.9 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 172.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -79.85 -32.87 40.55 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.504 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 8.0 p . . . . . 0 C--O 1.249 1.074 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE1' ' HE3' ' A' ' 95' ' ' LYS . 31.0 tt0 . . . . . 0 CA--C 1.567 1.631 0 CA-C-O 121.277 0.56 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -48.99 -25.83 2.19 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.536 1.534 . . . . 0.0 114.597 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.87 -29.21 17.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.96 0.409 . . . . 0.0 111.895 -176.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.17 13.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.472 HG23 ' HE1' ' A' ' 96' ' ' TRP . 14.4 p -55.58 -38.95 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.338 0.655 . . . . 0.0 112.041 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.86 -27.59 68.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -74.2 -44.42 53.39 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.66 -42.11 95.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.776 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -60.73 -52.61 64.36 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.721 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -21.25 64.28 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.922 0.391 . . . . 0.0 111.841 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.86 66.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 58.3 mt -70.92 -36.18 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.207 0.527 . . . . 0.0 110.103 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.2 ttt -56.13 -25.94 48.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.952 0.901 . . . . 0.0 111.337 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.39 -22.85 14.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.662 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.8 t70 -152.76 119.47 3.04 Favored Pre-proline 0 C--O 1.249 1.058 0 C-N-CA 122.321 0.248 . . . . 0.0 110.779 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -92.73 2.06 3.72 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 122.57 2.18 . . . . 0.0 113.19 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.6 m -70.92 -45.06 64.89 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 117.602 0.183 . . . . 0.0 111.415 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -87.06 -4.5 59.16 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.759 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.22 -23.48 55.92 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -62.11 -52.09 65.28 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 122.845 0.458 . . . . 0.0 111.603 -174.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.23 -29.87 69.63 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.248 0.546 . . . . 0.0 111.043 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.1 t -63.6 -31.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.372 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.19 -35.74 74.15 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -66.28 -42.76 87.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.901 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' ' OE1' ' A' ' 71' ' ' GLU . 7.2 tmtm? -60.92 -36.53 79.55 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.674 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.472 ' HE1' HG23 ' A' ' 75' ' ' VAL . 23.3 m0 -70.41 -24.03 62.85 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.333 -0.854 . . . . 0.0 112.208 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.28 -24.7 63.09 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.497 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -68.56 -21.83 64.52 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 121.632 0.73 . . . . 0.0 109.49 177.48 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.497 ' HD2' ' CG ' ' A' ' 98' ' ' ASP . 17.0 mmmt -91.86 -15.07 28.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.779 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.07 24.79 68.09 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.441 -176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.527 ' CD2' HD13 ' A' ' 106' ' ' LEU . 19.0 m-85 -67.53 114.15 5.95 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.304 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 m -98.87 94.35 6.53 Favored 'General case' 0 N--CA 1.425 -1.692 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.309 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.434 ' HA ' ' CE2' ' A' ' 125' ' ' TYR . 51.5 tp 38.09 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.386 2.274 . . . . 0.0 115.187 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 107' ' ' SER . 10.0 t -63.5 -20.79 65.9 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.945 1.298 . . . . 0.0 112.252 -175.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.8 -25.14 33.01 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 101' ' ' TYR . 67.1 tp -72.53 -25.79 61.51 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 104' ' ' THR . 17.6 m -61.02 -18.75 59.47 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.033 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 0.4 OUTLIER -84.72 -34.87 22.82 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 174.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.439 ' HB3' HG11 ' A' ' 75' ' ' VAL . 90.2 m-85 -68.47 -22.82 64.54 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.364 1.078 . . . . 0.0 109.146 175.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mp -107.7 3.63 24.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.744 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 108' ' ' ASP 0.443 62.0 mttm . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -172.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.432 ' HB3' ' CG1' ' A' ' 121' ' ' VAL . 81.9 m-85 . . . . . 0 C--O 1.218 -0.604 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.9 -52.07 3.11 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.246 1.018 . . . . 0.0 112.851 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 4.8 mmp_? -53.82 -44.12 69.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 79' ' ' ALA . 14.8 p -82.72 -31.81 9.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.385 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -62.26 -44.69 95.97 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.517 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -50.75 64.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 123.564 0.54 . . . . 0.0 110.367 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.9 -45.15 94.87 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.644 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 103' ' ' LEU . 43.4 t80 -59.72 -47.66 84.76 Favored 'General case' 0 C--O 1.209 -1.035 0 C-N-CA 122.797 0.439 . . . . 0.0 111.65 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.0 ttt -53.93 -29.17 41.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.315 1.046 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.9 m -66.18 -19.5 65.85 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.747 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.516 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -68.12 -19.65 64.85 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 121.298 -0.876 . . . . 0.0 111.031 -177.763 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -69.23 -0.12 5.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -84.44 -28.58 26.75 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.68 -25.42 5.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.929 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.491 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 41.0 t . . . . . 0 C--N 1.316 -0.855 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.505 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -46.48 -37.28 7.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.627 1.171 . . . . 0.0 112.767 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.89 64.9 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.164 0.506 . . . . 0.0 111.785 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.59 -35.12 21.22 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.511 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -58.26 -27.13 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.31 -41.66 73.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 0.0 110.091 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.07 -28.6 57.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.401 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -61.54 -48.76 79.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.303 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -36.13 81.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.407 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.79 82.52 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 71.2 mt -70.46 -25.09 26.27 Favored 'Isoleucine or valine' 0 C--O 1.251 1.177 0 CA-C-O 122.126 0.965 . . . . 0.0 110.575 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ttt -71.86 -19.8 61.9 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.906 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.55 -49.76 4.3 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 13.1 t70 -118.88 127.21 26.66 Favored Pre-proline 0 C--N 1.312 -1.046 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.407 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -95.86 6.8 1.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.303 2.002 . . . . 0.0 112.949 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -87.69 -52.05 5.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.749 0.309 . . . . 0.0 110.356 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -73.07 -4.2 31.09 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -176.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.59 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.162 0.985 . . . . 0.0 112.301 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -56.94 -52.0 66.94 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.857 0.863 . . . . 0.0 110.62 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 94' ' ' GLN . 1.4 t70 -55.68 -37.24 68.07 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.202 1.401 . . . . 0.0 112.17 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 82' ' ' ILE . 23.7 t -77.38 -40.3 28.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.852 -176.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.09 -35.46 80.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.564 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 21.2 tt0 -56.78 -57.34 12.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.264 173.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.571 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.4 tmtt? -61.09 -24.89 66.57 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.792 0.837 . . . . 0.0 110.395 -178.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.408 ' HA ' ' CD2' ' A' ' 101' ' ' TYR . 42.3 m0 -83.5 -49.23 9.47 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.509 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.57 -27.02 62.87 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -23.7 52.95 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.398 0.618 . . . . 0.0 110.186 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -93.73 -7.72 42.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.133 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.67 30.77 52.0 Favored Glycine 0 N--CA 1.434 -1.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.405 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 96' ' ' TRP . 23.6 m-85 -74.08 135.78 42.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.334 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.504 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 25.5 p -98.69 159.75 14.74 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.159 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.77 -37.91 60.22 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.409 0.684 . . . . 0.0 112.345 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.3 t -66.48 -36.91 83.9 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.067 0.46 . . . . 0.0 110.758 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -75.59 -34.0 60.61 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 125' ' ' TYR . 3.3 tm? -63.12 -34.77 78.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.511 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -60.33 -50.42 73.71 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.02 -31.08 69.62 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.946 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.417 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 22.3 m-30 -72.01 -49.14 39.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.334 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.89 -43.84 34.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.28 -2.419 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 C--O 1.207 -1.132 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.81 -39.58 71.53 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.647 0.26 . . . . 0.0 111.206 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -53.45 -44.73 69.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.3 p -83.96 -33.95 9.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.167 0.508 . . . . 0.0 110.631 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -69.15 -57.76 4.96 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.359 0.664 . . . . 0.0 112.222 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.95 -31.43 72.0 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.12 -35.11 82.8 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.361 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.532 ' CD2' ' HG ' ' A' ' 106' ' ' LEU . 51.7 t80 -67.29 -28.75 68.28 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.116 0.567 . . . . 0.0 111.973 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.2 tpt -50.85 -32.67 20.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.288 0.635 . . . . 0.0 112.223 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -55.6 -19.63 10.91 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.242 1.017 . . . . 0.0 112.49 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.504 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -78.17 -20.4 52.05 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.427 -0.795 . . . . 0.0 110.363 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -76.11 -10.58 59.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.44 -167.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.49 -2.84 32.09 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.942 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -127.24 -36.29 2.14 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.143 -177.828 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 30.9 pttt -42.36 -32.74 0.55 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -172.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.27 42.4 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.48 -39.46 18.88 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 120.91 0.386 . . . . 0.0 111.262 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 109' ' ' PHE . 12.4 p -57.93 -26.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.245 0.618 . . . . 0.0 111.501 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 68.0 mttm -62.27 -33.52 74.79 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.023 0.439 . . . . 0.0 110.825 176.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -69.32 -24.27 63.91 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.547 0.689 . . . . 0.0 110.762 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.0 mmt -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.7 81.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.917 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -62.17 -26.24 68.23 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.387 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.73 -39.13 22.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.392 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.9 mm -65.98 -32.03 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.37 1.081 . . . . 0.0 108.709 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.2 ttm -70.29 -25.9 63.54 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.681 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.57 -51.8 8.34 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.464 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 19.7 t70 -133.83 122.53 16.59 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.958 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -94.32 7.39 2.37 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 m -84.37 -42.15 16.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.597 0.713 . . . . 0.0 109.698 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.66 -5.37 59.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.288 177.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.65 -39.56 58.39 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.03 -38.38 62.34 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.15 -30.37 70.33 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 119.566 -0.853 . . . . 0.0 111.211 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.414 ' HA ' ' HB2' ' A' ' 95' ' ' LYS . 47.9 t -81.57 -28.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.02 -45.0 94.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.48 80.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.624 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 7.1 mmtm -67.65 -45.3 75.71 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.024 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.174 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.91 89.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.624 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -80.65 -12.77 59.44 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.845 0.831 . . . . 0.0 110.534 -177.019 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -4.09 37.92 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.8 22.19 67.0 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.316 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -98.78 113.86 26.15 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.6 p -103.67 172.2 6.94 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.919 0.137 . . . . 0.0 110.712 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.87 -42.39 68.55 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.867 0.867 . . . . 0.0 112.203 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -69.21 -28.12 66.09 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.46 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.81 -24.12 67.59 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.395 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 m -61.84 -30.24 70.71 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.135 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.82 -45.79 12.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.824 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' HB3' HG11 ' A' ' 75' ' ' VAL . 21.5 m-30 -52.39 -48.99 65.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.627 1.204 . . . . 0.0 111.519 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.8 -47.03 10.1 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.657 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? . . . . . 0 C--O 1.241 0.619 0 CA-C-O 123.263 1.506 . . . . 0.0 108.764 -177.053 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -64.38 0.64 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.142 1.777 . . . . 0.0 113.803 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.34 -49.44 76.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.01 -43.07 89.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -174.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -71.76 -55.15 8.17 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.216 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.57 -37.16 92.35 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.544 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.88 -33.67 76.57 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.565 0.346 . . . . 0.0 111.674 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.8 ttt -50.33 -34.33 23.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.001 0.921 . . . . 0.0 112.395 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.2 m -57.38 -20.8 31.82 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.414 1.086 . . . . 0.0 112.342 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.457 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.9 OUTLIER -62.82 -24.73 67.91 Favored 'General case' 0 C--O 1.207 -1.162 0 O-C-N 121.77 -0.581 . . . . 0.0 111.003 -177.147 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.544 ' HA ' ' NE ' ' A' ' 129' ' ' ARG . 1.0 OUTLIER -64.97 -18.08 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.411 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.25 -11.18 50.43 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.478 0.486 . . . . 0.0 111.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -136.64 -27.84 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.927 179.705 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -54.98 -48.0 73.85 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.545 1.164 . . . . 0.0 108.66 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' LYS . . . -76.59 -19.36 57.94 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.477 -1.692 . . . . 0.0 111.722 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.36 -56.95 3.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.838 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.76 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 76.4 tttt -70.19 -18.06 63.17 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.493 0.663 . . . . 0.0 111.198 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.5 tppp? -76.66 -29.9 56.57 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.0 mtt -82.57 -36.98 25.74 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -56.74 -41.13 76.97 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.626 0.771 . . . . 0.0 110.027 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.4 OUTLIER -57.99 -29.45 65.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.908 175.758 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.23 -35.75 47.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 0.0 111.601 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 92' ' ' VAL . 1.9 mp -74.4 -26.59 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.469 0.652 . . . . 0.0 110.397 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 27.3 ptm -70.3 -16.5 63.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.879 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.03 -58.4 2.41 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 18.6 t70 -115.0 115.66 43.1 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -95.44 13.26 1.29 Allowed 'Trans proline' 0 N--CA 1.436 -1.893 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 -43.81 9.21 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.523 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.14 -4.54 59.19 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.54 0.686 . . . . 0.0 110.755 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.85 -32.75 15.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.464 -1.244 . . . . 0.0 113.186 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.23 -49.94 70.72 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -54.86 -42.61 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.706 1.202 . . . . 0.0 111.859 176.007 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 82' ' ' ILE . 55.3 t -74.38 -32.34 30.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.757 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -68.54 -47.02 67.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 4.8 pp0? -66.35 -36.61 83.34 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.542 -177.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -75.76 -17.49 59.87 Favored 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.406 179.465 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -79.31 -40.66 29.83 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.115 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.07 96.4 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.941 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.492 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -74.13 -20.44 60.24 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.921 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 47.7 mmtm -90.16 -2.48 58.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.822 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.84 12.03 58.35 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.846 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -72.34 125.84 28.37 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.128 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -104.34 142.65 34.18 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.883 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -42.15 -45.1 3.92 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.184 1.394 . . . . 0.0 113.103 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -56.55 -32.6 65.31 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -77.54 -22.22 51.39 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 122.638 0.375 . . . . 0.0 110.78 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CD2' ' A' ' 125' ' ' TYR . 20.8 tp -67.69 -26.35 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 0.0 109.838 -176.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m -62.22 -33.59 74.85 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.929 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 29.4 t70 -75.42 -34.19 61.0 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.398 0.618 . . . . 0.0 110.689 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 19.0 m-85 -75.11 -49.0 21.03 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -86.85 22.81 1.87 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.286 0.846 . . . . 0.0 113.286 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 108' ' ' ASP . 24.8 pttm . . . . . 0 C--O 1.257 1.495 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.215 -0.755 0 CA-C-O 121.263 0.554 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.84 -23.82 66.07 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.41 -55.88 17.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.1 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.458 HG11 ' HB1' ' A' ' 79' ' ' ALA . 4.8 p -68.25 -36.82 76.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.776 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -64.45 -58.62 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.426 0.155 . . . . 0.0 111.388 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -62.27 -35.67 79.69 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.479 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.12 -49.79 68.64 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.546 ' CD2' HD22 ' A' ' 106' ' ' LEU . 69.8 t80 -61.79 -38.7 89.03 Favored 'General case' 0 C--O 1.195 -1.79 0 C-N-CA 122.752 0.421 . . . . 0.0 110.828 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -51.52 -33.11 30.39 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.618 0.767 . . . . 0.0 111.732 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.2 m -65.21 -19.57 66.03 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.623 0.769 . . . . 0.0 111.672 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.9 OUTLIER -66.35 -18.45 65.37 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.48 -0.762 . . . . 0.0 110.174 -178.469 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.2 mmm180 -65.78 -13.72 59.98 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.28 -17.38 27.54 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.473 0.654 . . . . 0.0 110.278 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -118.41 -36.71 3.47 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -173.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.239 0.542 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.88 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.6 -29.45 70.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.238 0.542 . . . . 0.0 110.877 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.06 -20.66 64.1 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.971 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.51 -44.26 12.84 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.05 -37.85 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.01 0.924 . . . . 0.0 111.589 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -61.32 -22.44 64.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -35.18 46.27 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.62 -42.08 78.58 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.112 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.3 61.07 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.38 -43.9 22.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.449 HD11 HG21 ' A' ' 92' ' ' VAL . 1.7 mp -67.88 -31.3 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.74 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.76 -24.77 67.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.61 -55.27 3.86 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD2' ' HG2' ' A' ' 88' ' ' LYS . 12.2 t70 -108.03 116.33 57.18 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.242 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.04 -5.43 7.71 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 122.423 2.082 . . . . 0.0 113.167 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -69.58 -45.01 69.65 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-O 120.876 0.37 . . . . 0.0 110.925 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 85' ' ' ASP . 8.6 ptpp? -86.81 -7.05 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.542 0.687 . . . . 0.0 110.429 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.77 95.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -168.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 9.7 t70 -65.37 -46.3 80.7 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-O 121.037 0.446 . . . . 0.0 110.431 -174.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.7 -28.09 65.46 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.628 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG21 HD11 ' A' ' 82' ' ' ILE . 88.2 t -83.5 -35.19 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 20.0 m-85 -63.35 -48.26 78.72 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.8 -32.26 73.68 Favored 'General case' 0 C--O 1.198 -1.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.73 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tmmm? -70.04 -28.56 65.56 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 121.648 0.737 . . . . 0.0 109.823 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -71.0 -41.97 70.24 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.611 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.62 84.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.047 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -23.07 65.13 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.562 0.696 . . . . 0.0 111.233 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.619 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -93.88 1.83 56.29 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.056 -0.403 . . . . 0.0 110.911 175.654 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 4.4 68.83 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.941 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -85.9 113.51 22.09 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t -111.67 165.17 12.26 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.833 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.1 tp -71.26 81.82 0.74 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.958 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.8 t 170.05 -42.31 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.837 2.055 . . . . 0.0 106.233 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -85.07 -40.66 16.56 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.044 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.27 -28.33 67.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.334 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.8 m -63.94 -26.0 68.39 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.435 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.21 -26.21 28.9 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-O 121.214 0.53 . . . . 0.0 111.148 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -66.48 -47.4 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.34 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.92 -32.41 40.16 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.562 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 111' ' ' LYS . 32.8 tptt . . . . . 0 CA--C 1.504 -0.795 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -174.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 C--O 1.217 -0.633 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.06 -63.24 1.16 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 126.399 1.88 . . . . 0.0 111.288 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.22 -39.77 93.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.813 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.96 -38.65 43.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.098 -0.641 . . . . 0.0 112.025 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.88 -52.78 47.26 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.53 -32.32 73.91 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.21 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -46.18 60.73 Favored Glycine 0 N--CA 1.438 -1.229 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -63.62 -37.44 87.32 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.387 0.675 . . . . 0.0 110.971 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.8 ttp -50.61 -31.94 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.185 0.994 . . . . 0.0 112.148 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -58.67 -24.44 61.26 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -13.98 62.72 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.892 -0.505 . . . . 0.0 110.892 -176.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -61.89 -6.09 2.54 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.48 -28.9 18.26 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.486 0.491 . . . . 0.0 111.021 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -86.7 -38.29 17.13 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.667 -0.813 . . . . 0.0 112.749 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.248 1.015 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.389 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -51.91 -34.11 39.99 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 123.736 0.814 . . . . 0.0 112.484 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -78.36 -22.06 48.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.505 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.65 -47.54 9.72 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.2 -49.25 77.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.122 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.03 -17.62 63.54 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -69.77 -53.02 20.26 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.445 ' O ' HG13 ' A' ' 82' ' ' ILE . 18.6 mmt -68.84 -38.09 79.57 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 124.218 0.949 . . . . 0.0 112.121 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.476 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -53.03 -59.37 4.63 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 124.368 1.042 . . . . 0.0 110.967 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -22.85 66.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.913 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.85 -30.85 67.36 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 66.4 mt -80.4 -22.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.879 0.847 . . . . 0.0 108.769 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 120' ' ' ARG . 64.8 ttp -61.95 -34.68 76.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.147 176.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.59 -46.71 6.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.625 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 22.8 t70 -115.99 123.23 31.28 Favored Pre-proline 0 C--O 1.247 0.921 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.15 4.59 3.22 Favored 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.1 t -85.33 -51.41 6.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.401 0.62 . . . . 0.0 109.689 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.625 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -78.45 -5.42 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.705 0.764 . . . . 0.0 111.036 178.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.06 -49.66 68.49 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.417 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.77 -39.33 84.52 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -38.97 56.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.956 0.884 . . . . 0.0 110.602 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.451 HG21 ' HZ3' ' A' ' 88' ' ' LYS . 25.5 t -79.61 -36.3 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.806 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.983 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 4.7 m-85 -59.25 -47.31 85.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.551 0.215 . . . . 0.0 110.693 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -40.46 77.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.237 0.541 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HA ' ' OD1' ' A' ' 98' ' ' ASP . 4.1 ttmp? -68.04 -33.83 75.32 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.16 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -69.86 -22.44 63.26 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.308 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.8 -39.26 21.98 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.61 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -76.62 -29.52 56.52 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.007 0.432 . . . . 0.0 110.829 -176.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -80.81 1.91 28.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.732 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.09 15.84 77.96 Favored Glycine 0 N--CA 1.434 -1.453 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 173.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -64.73 112.93 3.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.392 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 42.46 0.61 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.822 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.3 tp 63.17 -72.13 0.05 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.344 1.058 . . . . 0.0 113.493 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.2 t -69.36 -6.17 28.18 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.648 0.779 . . . . 0.0 112.532 -174.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -84.97 -23.7 28.63 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.5 tp -75.93 -30.41 58.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 m -54.43 -36.81 64.43 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 114.065 -1.425 . . . . 0.0 112.238 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -84.54 -32.92 23.6 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.84 -35.11 80.05 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 122.388 1.09 . . . . 0.0 109.02 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.75 28.0 2.85 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.924 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 tptp . . . . . 0 CA--C 1.515 -0.388 0 C-N-CA 125.377 1.471 . . . . 0.0 111.237 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 N--CA 1.44 -0.944 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.36 -62.52 1.45 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.482 1.513 . . . . 0.0 112.241 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -66.28 -44.24 84.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -66.45 -45.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 126' ' ' MET . 83.3 t80 -79.63 -47.98 14.51 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.002 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -65.88 -32.95 74.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.27 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.87 45.77 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.492 ' HA ' ' CE2' ' A' ' 93' ' ' TYR . 79.5 t80 -54.68 -40.36 69.03 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.135 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 122' ' ' TYR . 86.3 mtp -51.64 -32.15 28.21 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.571 0.749 . . . . 0.0 112.584 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -66.08 -19.61 65.9 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.755 0.822 . . . . 0.0 112.072 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -24.21 65.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.923 -0.486 . . . . 0.0 111.579 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 1.1 tpm_? -68.04 -11.81 59.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.711 -166.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.17 -32.72 22.55 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.27 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.78 -36.39 6.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--O 1.256 1.411 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -177.665 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 75' ' ' VAL . 35.4 mt-10 . . . . . 0 C--O 1.215 -0.727 0 CA-C-O 120.647 0.261 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -45.88 -27.16 0.81 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.736 1.615 . . . . 0.0 115.013 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.42 -28.25 18.76 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -176.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.17 24.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.73 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 71' ' ' GLU . 76.4 t -55.53 -48.69 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.861 176.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.35 -20.84 66.57 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.112 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 74.6 mmtt -76.49 -44.68 34.29 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.87 -30.41 61.32 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.227 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -62.43 -46.03 90.4 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.744 175.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.0 tmtm? -65.71 -35.28 80.31 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.339 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -44.58 69.69 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.59 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.608 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 68.7 mt -69.35 -23.2 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.963 . . . . 0.0 110.387 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.537 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 7.5 ttt -60.79 -24.59 65.91 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.198 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.38 -54.79 2.53 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 18.1 t70 -106.92 127.22 28.46 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.466 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -96.42 1.34 1.99 Allowed 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.435 2.09 . . . . 0.0 112.898 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -79.33 -49.13 12.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.536 ' O ' ' HE3' ' A' ' 88' ' ' LYS 0.291 0.1 OUTLIER -81.01 -5.43 57.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.156 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.79 -43.73 2.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.941 1.297 . . . . 0.0 113.997 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.58 -46.61 73.78 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.62 0.575 . . . . 0.0 111.835 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -34.39 49.82 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.18 0.992 . . . . 0.0 112.094 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' HB ' HD11 ' A' ' 82' ' ' ILE . 65.9 t -83.17 -44.38 18.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.426 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -60.65 -46.68 89.41 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 123.37 0.418 . . . . 0.0 110.766 -177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -67.6 -34.79 77.71 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.713 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.688 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 2.9 ttmp? -81.53 -40.0 23.82 Favored 'General case' 0 C--O 1.2 -1.516 0 CA-C-O 122.034 0.921 . . . . 0.0 110.401 -175.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.529 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 2.3 m-90 -66.92 -21.5 65.99 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.214 1.007 . . . . 0.0 109.677 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . . . -76.01 -44.41 39.65 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 113.977 -1.465 . . . . 0.0 109.641 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.688 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -72.86 -36.95 67.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 123.51 0.506 . . . . 0.0 111.034 -177.146 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 13.3 mmmm -74.41 2.81 8.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.314 -177.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.85 -0.57 87.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.001 0.76 . . . . 0.0 115.001 173.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.76 113.4 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.139 0.971 . . . . 0.0 110.478 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -95.76 139.42 32.02 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -42.95 -44.18 4.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.23 1.412 . . . . 0.0 112.985 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 -41.73 99.02 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -82.25 -29.43 31.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.77 0.795 . . . . 0.0 109.069 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.09 -26.43 68.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.104 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.0 m -61.48 -31.26 71.23 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.252 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.419 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 21.3 t70 -80.98 -35.13 32.44 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.195 0.521 . . . . 0.0 110.184 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.95 -30.34 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.611 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.38 -42.34 20.61 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 14.5 tppt? . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.553 1.941 . . . . 0.0 110.519 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.424 ' O ' HG12 ' A' ' 121' ' ' VAL . 56.1 m-85 . . . . . 0 CA--C 1.487 -1.456 0 CA-C-O 122.784 1.278 . . . . 0.0 107.827 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -31.39 70.74 Favored 'General case' 0 C--N 1.269 -2.923 0 CA-C-N 113.483 -1.69 . . . . 0.0 110.079 -177.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -61.68 -46.67 88.72 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.361 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG11 ' HB1' ' A' ' 79' ' ' ALA . 12.8 p -78.25 -30.24 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.24 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -58.9 -46.9 86.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.455 0.702 . . . . 0.0 110.643 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.44 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.64 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.2 98.99 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -59.42 -23.95 63.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.907 0.483 . . . . 0.0 112.233 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 87.1 mtp -66.3 -22.76 66.3 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.753 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 73.6 p -81.18 -37.63 28.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -70.4 -34.5 72.61 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.274 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.561 ' HA ' ' O ' ' A' ' 132' ' ' VAL . 3.6 tpm_? -76.25 2.53 13.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.545 -168.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.33 -27.99 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.819 0.819 . . . . 0.0 108.899 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.49 -12.48 15.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.559 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 129' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 75' ' ' VAL . 30.3 mt-10 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.931 0.396 . . . . 0.0 111.727 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' HG22 ' A' ' 75' ' ' VAL . 17.9 ptmt -62.94 -24.43 67.87 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.324 1.05 . . . . 0.0 112.812 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.14 68.41 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.25 0.548 . . . . 0.0 110.235 174.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -36.89 58.08 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.481 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.696 ' HB ' ' CH2' ' A' ' 96' ' ' TRP . 6.0 m -61.05 -36.28 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.82 -33.13 75.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 120.788 0.328 . . . . 0.0 110.722 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -25.34 64.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.6 mmt -83.63 -47.2 11.51 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.68 -43.13 76.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.123 -1.398 . . . . 0.0 111.674 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.657 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -59.9 -45.11 93.56 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.744 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.61 64.82 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.4 tt -76.33 -23.2 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 122.46 1.124 . . . . 0.0 109.615 175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 18.8 ttm -66.73 -30.56 70.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.368 171.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.64 -58.51 3.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.539 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 27.0 t70 -117.83 118.64 34.63 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-O 120.879 0.371 . . . . 0.0 111.476 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 65.7 Cg_endo -96.8 14.93 0.83 Allowed 'Trans proline' 0 N--CA 1.437 -1.8 0 C-N-CA 122.679 2.252 . . . . 0.0 112.181 177.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -90.55 -38.91 12.87 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 121.804 0.812 . . . . 0.0 109.09 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.83 -3.57 59.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.29 176.143 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 86' ' ' PRO . . . -40.89 -43.02 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.836 1.654 . . . . 0.0 115.119 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.81 -55.54 4.42 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.594 1.158 . . . . 0.0 113.561 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 3.0 p30 -66.2 -25.65 67.03 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.07 -36.5 21.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -61.15 -46.67 89.57 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -23.34 60.15 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 7.3 tmtm? -83.26 -21.0 33.45 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.964 0.888 . . . . 0.0 109.422 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.696 ' CH2' ' HB ' ' A' ' 75' ' ' VAL . 15.0 t-105 -83.9 -35.47 24.06 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.23 86.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 108.941 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -52.94 -37.93 61.43 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 125.629 1.572 . . . . 0.0 110.863 172.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -78.96 -10.82 59.94 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.326 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.53 21.09 79.83 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 116.223 -0.444 . . . . 0.0 113.083 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.34 137.19 38.61 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.703 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.7 p -99.92 149.36 23.5 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.932 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.03 -33.22 62.47 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.837 0.855 . . . . 0.0 112.659 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.2 t -68.52 -28.41 66.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.836 0.351 . . . . 0.0 111.366 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -85.21 -21.1 29.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.529 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -54.4 -37.02 64.57 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.731 0.813 . . . . 0.0 111.536 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.0 t -67.91 -24.95 65.27 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.774 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 27.3 t70 -83.39 -32.17 26.3 Favored 'General case' 0 C--O 1.245 0.832 0 O-C-N 121.771 -0.581 . . . . 0.0 110.284 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.449 ' HB3' HG21 ' A' ' 75' ' ' VAL . 24.0 m-85 -70.86 -48.83 51.75 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.057 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.66 -41.38 13.43 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.342 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 74.6 mmtt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 122.297 1.046 . . . . 0.0 111.816 -174.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.432 -1.364 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -35.83 -63.06 0.39 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.747 1.619 . . . . 0.0 113.986 -173.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.32 -39.67 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.5 p -84.03 -36.98 12.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -63.94 -52.53 59.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.997 0.427 . . . . 0.0 110.353 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -34.4 77.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.83 -46.02 94.14 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.503 -0.38 . . . . 0.0 112.289 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -70.56 -23.22 62.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.427 -0.455 . . . . 0.0 112.2 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.9 ttp -66.15 -41.9 89.79 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.755 ' HA ' ' OD2' ' A' ' 130' ' ' ASP . 60.9 m -64.23 -19.84 65.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -74.29 -24.04 59.19 Favored 'General case' 0 C--O 1.191 -1.98 0 C-N-CA 116.611 -2.036 . . . . 0.0 109.716 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -82.06 -6.79 59.43 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.346 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.755 ' OD2' ' HA ' ' A' ' 127' ' ' THR . 26.6 m-20 -83.44 -13.18 55.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.113 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -127.65 -30.85 2.51 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.408 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 49.4 t . . . . . 0 C--N 1.313 -1.015 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 75' ' ' VAL . 48.5 mt-10 . . . . . 0 C--O 1.199 -1.572 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.72 -36.98 70.32 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -23.3 61.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.236 0.541 . . . . 0.0 110.757 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.58 -36.83 20.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.791 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 71' ' ' GLU . 75.0 t -54.77 -42.54 62.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 C-N-CA 123.988 0.915 . . . . 0.0 111.312 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.78 -24.6 67.82 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 62.1 mttp -80.78 -32.12 35.53 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mmt -74.03 -31.06 62.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.379 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -65.99 -41.65 90.8 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.487 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -65.09 -36.18 83.47 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HA ' ' OD1' ' A' ' 85' ' ' ASP . . . -66.89 -45.43 78.03 Favored 'General case' 0 C--O 1.171 -3.03 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.52 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.587 HD12 HG23 ' A' ' 121' ' ' VAL . 71.5 mt -65.38 -34.65 71.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.127 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.5 ttp -71.55 -30.1 65.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.635 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -103.07 -60.56 1.53 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.382 0.611 . . . . 0.0 111.104 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.481 ' OD1' ' HA ' ' A' ' 81' ' ' ALA . 1.3 m-20 -86.66 99.06 0.96 Allowed Pre-proline 0 C--N 1.288 -2.074 0 C-N-CA 125.73 1.612 . . . . 0.0 109.058 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 68.1 Cg_endo -76.34 -16.24 17.45 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 121.561 1.508 . . . . 0.0 113.22 -172.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -87.64 -12.1 46.53 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-O 120.773 0.321 . . . . 0.0 110.137 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.632 ' O ' ' HD3' ' A' ' 88' ' ' LYS . 9.0 tmtm? -89.19 -7.9 54.67 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.642 0.734 . . . . 0.0 110.069 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -60.46 -41.38 94.01 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -173.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -57.55 -52.94 63.35 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.331 0.653 . . . . 0.0 111.283 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.06 -50.42 15.2 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 125.243 1.417 . . . . 0.0 112.713 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' A' ' 82' ' ' ILE . 21.5 t -74.01 -29.58 25.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.433 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.7 -35.51 80.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.023 0.439 . . . . 0.0 110.497 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.37 -33.98 31.99 Favored 'General case' 0 CA--C 1.475 -1.911 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.607 177.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.659 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 4.4 tmtt? -65.29 -31.29 72.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 101' ' ' TYR 0.258 42.6 m0 -77.52 -40.57 42.29 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.549 -1.26 . . . . 0.0 112.295 -178.831 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.61 78.2 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -46.64 -42.39 16.22 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 125.249 1.42 . . . . 0.0 113.223 174.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.535 ' HG2' ' OD2' ' A' ' 98' ' ' ASP . 46.5 mmtm -105.51 0.58 26.8 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.882 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.76 35.39 89.8 Favored Glycine 0 N--CA 1.433 -1.564 0 O-C-N 124.05 0.844 . . . . 0.0 112.898 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 99' ' ' LYS . 84.0 m-85 -55.53 113.36 1.41 Allowed 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 m -79.82 137.79 37.05 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.288 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.6 tp -68.07 79.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.667 0.746 . . . . 0.0 111.595 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t 174.45 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 126.868 2.067 . . . . 0.0 106.06 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -76.86 -33.28 57.88 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.2 tp -52.54 -29.07 23.43 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.429 -1.259 . . . . 0.0 111.091 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t -59.56 -35.68 74.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -84.2 -27.95 27.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.047 -1.061 . . . . 0.0 111.66 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.98 -41.85 99.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.899 0.38 . . . . 0.0 110.757 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.71 -23.65 29.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.742 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 125.239 1.416 . . . . 0.0 110.005 -176.793 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 CA--C 1.55 0.96 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.99 -64.34 0.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.859 1.664 . . . . 0.0 113.264 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.75 -39.96 78.59 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.587 HG23 HD12 ' A' ' 82' ' ' ILE . 3.3 p -78.26 -47.8 23.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.285 -0.566 . . . . 0.0 112.101 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.466 ' O ' ' HG3' ' A' ' 126' ' ' MET . 68.8 t80 -71.6 -55.23 8.17 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.657 -174.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.476 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 15.2 m120 -63.01 -32.22 73.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.004 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.95 -30.61 65.42 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.673 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -81.55 -23.18 37.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 122.663 -0.316 . . . . 0.0 111.261 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 87.9 mtp -50.79 -33.12 22.13 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.241 0.617 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -54.3 -22.06 10.94 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.777 1.631 . . . . 0.0 113.031 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -33.26 73.01 Favored 'General case' 0 C--O 1.193 -1.895 0 CA-C-O 121.231 0.539 . . . . 0.0 111.484 -176.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -60.83 -34.15 74.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 124.263 1.025 . . . . 0.0 113.053 -166.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.93 9.77 28.61 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.067 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -136.89 -37.41 0.66 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.472 1.109 . . . . 0.0 110.058 -177.246 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.188 0 N-CA-C 103.078 -2.934 . . . . 0.0 103.078 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 75' ' ' VAL . 1.7 pttm -47.98 -27.04 2.0 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 113.281 -1.781 . . . . 0.0 115.559 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.39 -32.33 48.76 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.566 -0.708 . . . . 0.0 111.31 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.94 -40.32 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.027 0.531 . . . . 0.0 111.178 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 109' ' ' PHE . 8.6 p -58.28 -27.72 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 121.413 0.625 . . . . 0.0 110.201 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 118' ' ' TYR . 53.3 mtmt -71.31 -17.86 62.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -38.68 88.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.0 mmm -78.68 -29.53 45.62 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.23 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -65.9 -44.65 84.63 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.002 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.4 -35.69 72.42 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 121.561 0.696 . . . . 0.0 110.294 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.94 -24.21 62.4 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.648 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 92' ' ' VAL . 72.5 mt -86.33 -42.22 15.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.791 -0.568 . . . . 0.0 109.635 173.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.629 ' SD ' ' HB2' ' A' ' 120' ' ' ARG . 10.0 tpt -51.59 -46.44 63.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.585 1.154 . . . . 0.0 111.679 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.36 -33.39 9.59 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.447 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 4.2 p-10 -131.74 70.3 81.15 Favored Pre-proline 0 C--O 1.253 1.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.047 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.17 11.7 1.16 Allowed 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 124.445 3.43 . . . . 0.0 115.415 -168.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -65.45 -27.13 68.29 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.287 0.565 . . . . 0.0 110.521 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 9.3 ptpp? -88.42 -7.36 56.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.811 -178.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.08 60.17 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -165.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.7 -56.56 17.93 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.48 -48.15 66.09 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.414 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.445 ' CG1' HD11 ' A' ' 82' ' ' ILE . 11.8 t -69.97 -33.11 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.607 -171.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -69.27 -50.99 41.9 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 121.277 0.56 . . . . 0.0 109.806 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -64.0 -43.57 95.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.821 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 tmmm? -77.49 -17.51 57.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -82.33 -33.7 28.84 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.751 -0.593 . . . . 0.0 109.492 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.85 88.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.071 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.606 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.8 p-10 -80.96 -8.82 59.85 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.383 0.611 . . . . 0.0 109.937 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.681 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -83.81 -14.52 51.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.38 22.68 28.68 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.391 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -88.12 113.43 23.74 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.507 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.479 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 17.1 m -90.09 145.5 25.02 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 44.8 tp -42.72 -45.19 4.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.778 1.231 . . . . 0.0 112.56 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -67.02 -26.72 66.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.013 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -84.2 -34.78 23.86 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.13 -18.28 63.25 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.267 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.0 m -66.92 -25.63 66.46 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.699 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.76 -41.29 30.98 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.538 ' HB3' HG11 ' A' ' 75' ' ' VAL . 88.1 m-85 -65.95 -49.09 69.13 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.304 -178.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.25 22.64 0.98 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 123.444 0.698 . . . . 0.0 112.602 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--O 1.259 1.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 177.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CE2' ' HD2' ' A' ' 76' ' ' LYS . 94.5 m-85 . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.995 0.426 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -49.73 -42.2 45.59 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 124.352 1.061 . . . . 0.0 112.744 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.629 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.6 mmp_? -65.49 -48.77 71.47 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.528 HG11 ' HB1' ' A' ' 79' ' ' ALA . 7.1 p -70.72 -37.37 68.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.534 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.422 ' O ' ' HG3' ' A' ' 126' ' ' MET . 66.1 t80 -70.79 -54.68 10.75 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.906 0.384 . . . . 0.0 110.215 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.49 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 2.8 t-20 -58.17 -37.5 74.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.591 0.756 . . . . 0.0 110.989 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.65 -45.01 79.71 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.636 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -59.18 -26.21 64.6 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.634 0.774 . . . . 0.0 110.999 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 88.5 mtp -56.26 -22.77 31.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.914 0.886 . . . . 0.0 112.373 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.4 p -64.53 -25.66 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.1 OUTLIER -74.11 -13.87 60.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.126 0.489 . . . . 0.0 110.795 -177.388 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.543 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 32.2 ttt85 -79.94 13.59 2.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.532 1.158 . . . . 0.0 111.779 -173.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.0 -28.82 57.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 168.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -109.8 -36.09 6.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.238 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.543 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 7.0 p . . . . . 0 C--O 1.248 1.011 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 . . . . . 0 C--O 1.205 -1.254 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -51.45 -35.49 39.83 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.515 1.126 . . . . 0.0 112.843 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.25 -20.78 20.8 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.091 0.472 . . . . 0.0 112.012 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.22 11.68 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.21 -30.62 35.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.76 0 C-N-CA 123.526 0.731 . . . . 0.0 112.698 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -66.99 -26.24 66.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.342 0.591 . . . . 0.0 111.728 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.35 -34.97 36.15 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.9 mtt -68.21 -37.27 80.7 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.306 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -54.49 -46.53 73.45 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.177 0.991 . . . . 0.0 111.585 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.669 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -72.3 -28.54 63.16 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.596 178.109 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -67.65 -23.25 65.31 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 121' ' ' VAL . 1.8 mp -86.5 -57.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.669 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 25.6 ptt? -67.04 -27.44 67.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -170.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.49 20.53 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.995 0.426 . . . . 0.0 110.682 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.663 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -136.94 67.5 56.7 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.614 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.99 -22.02 52.97 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 123.354 2.702 . . . . 0.0 115.536 -170.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 p -74.26 -27.15 60.62 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -87.79 -7.58 57.11 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.928 0.871 . . . . 0.0 110.859 -177.101 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HA ' HG13 ' A' ' 82' ' ' ILE . . . -60.13 -42.66 95.31 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -167.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.2 -41.11 90.62 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.328 0.513 . . . . 0.0 111.857 -173.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.23 -35.48 71.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.516 0.674 . . . . 0.0 110.282 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.52 -30.12 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.904 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.08 -44.69 96.13 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -22.94 61.43 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.487 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.569 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 6.1 tmtm? -77.64 -34.15 53.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.438 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.4 m0 -73.65 -36.26 65.37 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.91 85.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -52.59 -31.97 38.93 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.429 0.692 . . . . 0.0 111.813 172.809 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HZ2' ' CG ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -102.47 3.27 37.45 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.535 -0.728 . . . . 0.0 111.506 -178.467 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.94 75.81 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.275 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -74.33 131.64 41.33 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.85 0.833 . . . . 0.0 111.996 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.548 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 9.4 t -112.28 172.3 6.99 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.646 ' H ' HD22 ' A' ' 103' ' ' LEU . 1.6 mm? -53.99 -57.03 12.55 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.792 0.837 . . . . 0.0 111.284 -173.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 104' ' ' THR . 1.4 t -58.92 -31.0 68.24 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.03 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.87 -36.16 21.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.016 0.436 . . . . 0.0 110.877 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.18 -34.56 78.3 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -58.42 -35.24 71.77 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 16.2 t70 -77.46 -27.4 52.07 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.246 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -70.45 -20.63 62.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.119 0.485 . . . . 0.0 110.167 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.38 -50.14 6.51 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 108' ' ' ASP . 20.9 ttmm . . . . . 0 C--O 1.257 1.477 0 C-N-CA 125.502 1.521 . . . . 0.0 111.833 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -54.2 -41.92 69.15 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.116 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.415 ' H ' ' HG3' ' A' ' 120' ' ' ARG . 51.8 mtt85 -49.98 -53.48 26.22 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.88 1.272 . . . . 0.0 111.241 176.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.457 HG11 ' HB1' ' A' ' 79' ' ' ALA . 8.1 p -71.97 -32.42 44.03 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.83 -49.3 68.7 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.7 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.56 -46.81 87.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.309 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.22 -29.47 75.37 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.71 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.498 ' O ' ' HD1' ' A' ' 128' ' ' TYR . 24.9 t80 -72.34 -31.54 65.73 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.641 -0.329 . . . . 0.0 110.354 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.512 ' HA ' HD11 ' A' ' 103' ' ' LEU . 87.9 mtp -54.3 -30.23 50.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.155 0.582 . . . . 0.0 112.311 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -63.38 -18.73 63.99 Favored 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 123.892 0.877 . . . . 0.0 111.76 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.548 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -72.52 -12.87 61.26 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.849 -1.157 . . . . 0.0 110.838 -179.173 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.7 mmm180 -64.46 -21.34 66.63 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.23 6.85 31.12 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.511 0.672 . . . . 0.0 110.129 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -105.39 -38.66 6.41 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.156 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 177.073 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.619 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.44 173.3 14.71 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.354 2.036 . . . . 0.0 110.607 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.28 165.26 34.81 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -153.37 160.1 42.58 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.8 p -73.09 125.67 28.21 Favored 'General case' 0 N--CA 1.428 -1.531 0 O-C-N 123.099 0.249 . . . . 0.0 110.615 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.53 -16.75 26.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.874 0.87 . . . . 0.0 112.536 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -52.32 -26.24 11.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.356 1.062 . . . . 0.0 112.231 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -80.05 64.79 5.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.74 0.781 . . . . 0.0 109.575 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.24 76.72 7.6 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.15 0.976 . . . . 0.0 108.723 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -146.08 49.99 1.18 Allowed 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -25.57 68.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.412 -176.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -55.35 -31.78 62.01 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.416 172.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 77' ' ' LYS . . . -79.1 -20.03 49.72 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.302 -0.249 . . . . 0.0 110.777 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.02 17.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.471 HG13 ' HZ2' ' A' ' 96' ' ' TRP . 51.1 t -56.82 -44.11 81.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.45 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HG2' HD23 ' A' ' 110' ' ' LEU . 67.6 mttm -59.61 -25.31 64.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 48.5 mmtm -75.6 -42.79 50.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.3 mtt -62.34 -48.3 80.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -55.01 -52.89 61.74 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.608 -177.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -65.94 -22.38 66.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.82 -41.52 17.44 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.891 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.502 HD12 ' HE2' ' A' ' 88' ' ' LYS . 1.7 mp -65.77 -37.71 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 80' ' ' LYS . 25.4 ptm -69.84 -13.54 62.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -95.95 -61.8 1.39 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.16 132.42 23.27 Favored Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.326 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -94.67 10.05 1.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.755 2.304 . . . . 0.0 111.86 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -77.7 -51.99 9.69 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.328 0.585 . . . . 0.0 110.125 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HE2' HD12 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -87.24 -7.08 58.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.482 0.658 . . . . 0.0 110.544 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.87 -44.7 74.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.612 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 38.4 t70 -65.19 -35.01 79.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -175.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 18.8 t70 -60.26 -38.36 83.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.728 176.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.6 t -75.53 -28.16 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.612 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 22.1 m-30 -63.54 -45.48 90.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.73 -36.87 81.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.661 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 91' ' ' ASP . 42.7 mmtm -56.39 -31.64 64.05 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 123.645 0.591 . . . . 0.0 111.521 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.52 ' CH2' HD13 ' A' ' 106' ' ' LEU . 4.6 m95 -68.54 -37.46 79.99 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.64 -32.78 41.68 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 121.637 0.732 . . . . 0.0 109.029 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -22.92 62.9 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.077 1.351 . . . . 0.0 111.948 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -106.04 4.66 29.52 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.95 -6.24 81.84 Favored Glycine 0 C--N 1.311 -0.832 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.833 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.422 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 85.4 m-85 -61.1 134.65 57.27 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.989 0.395 . . . . 0.0 110.176 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.5 m -127.43 89.44 2.96 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.9 tp 31.8 -79.68 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.127 2.571 . . . . 0.0 116.905 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -59.16 -22.44 60.94 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.427 0.691 . . . . 0.0 111.652 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.443 ' HG2' ' CE2' ' A' ' 109' ' ' PHE . 62.0 tt0 -62.18 -23.34 66.55 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.505 1.122 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.52 HD13 ' CH2' ' A' ' 96' ' ' TRP . 64.4 tp -62.56 -22.9 66.69 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.38 0.672 . . . . 0.0 110.646 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -65.44 -28.02 68.94 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.453 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.59 -36.3 24.03 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.263 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.443 ' CE2' ' HG2' ' A' ' 105' ' ' GLN . 21.3 m-85 -69.38 -44.62 71.13 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.889 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 118' ' ' TYR . 70.3 mt -99.52 -22.49 15.46 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 68.35 29.77 5.74 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.374 1.083 . . . . 0.0 110.102 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 p -76.01 45.28 0.34 Allowed 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 126.255 1.822 . . . . 0.0 112.3 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.464 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -114.09 -32.58 5.98 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 172.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.1 m -82.95 165.64 19.54 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 102.03 3.85 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.71 169.87 19.36 Favored Glycine 0 N--CA 1.422 -2.266 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -70.9 -18.47 62.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.211 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.606 ' HB3' HD13 ' A' ' 110' ' ' LEU . 36.9 m-85 -72.1 25.47 0.05 OUTLIER 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -176.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -53.44 -63.18 1.23 Allowed 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.024 0.929 . . . . 0.0 113.282 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -55.02 -41.32 71.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.959 0.903 . . . . 0.0 112.268 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -74.67 -38.32 44.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.807 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -62.73 -48.36 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -61.19 -40.68 94.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.684 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.17 -42.71 97.29 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.961 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -71.86 -22.93 61.45 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.41 -39.97 85.15 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.749 -0.595 . . . . 0.0 109.625 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.504 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 11.3 m -68.01 -18.53 64.74 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 114.526 -1.215 . . . . 0.0 113.331 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CB ' ' HB3' ' A' ' 93' ' ' TYR . 2.9 p90 -69.27 -25.69 64.39 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 117.77 -1.572 . . . . 0.0 111.151 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.558 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -76.45 -9.44 58.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 9.7 m-20 -83.78 -15.41 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -109.76 -37.63 5.6 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.558 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 5.2 m . . . . . 0 C--N 1.325 -0.481 0 C-N-CA 123.73 0.812 . . . . 0.0 110.417 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.631 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.95 46.93 1.29 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 122.387 2.058 . . . . 0.0 109.184 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.89 -154.89 16.45 Favored Glycine 0 N--CA 1.411 -2.999 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.2 mt 68.36 -67.64 0.19 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.661 1.584 . . . . 0.0 112.369 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 p -85.62 -36.78 20.13 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 123.685 0.794 . . . . 0.0 112.043 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 -76.3 0.61 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.998 -1.001 . . . . 0.0 113.379 -172.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.24 -33.32 69.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 121.63 0.729 . . . . 0.0 111.262 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -90.84 21.1 4.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.467 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 40.7 mmtm 81.25 118.95 0.05 Allowed 'General case' 0 C--O 1.247 0.971 0 C-N-CA 126.375 1.87 . . . . 0.0 115.19 169.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -82.7 130.0 35.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 75' ' ' VAL 0.347 0.0 OUTLIER 46.84 58.41 4.75 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -177.374 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -68.42 -27.09 65.89 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.713 174.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.724 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -74.33 -34.62 63.48 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.53 85.91 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 120.998 0.427 . . . . 0.0 109.859 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 71' ' ' GLU . 55.6 t -60.93 -43.52 96.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.503 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 57.1 mtpt -70.98 -22.39 62.19 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 64.0 mttp -61.81 -46.52 89.14 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.4 mtp -76.01 -37.58 58.27 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.251 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . . . -60.08 -45.64 92.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.073 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -33.85 72.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.558 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.62 -27.3 62.07 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.357 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.409 HD11 HG11 ' A' ' 92' ' ' VAL . 74.0 mt -76.62 -35.33 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.583 0.706 . . . . 0.0 109.442 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.44 -32.67 73.57 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.766 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.12 -37.1 16.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.489 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.563 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 1.6 t70 -136.19 116.02 11.11 Favored Pre-proline 0 N--CA 1.441 -0.883 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.484 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -91.12 3.66 4.38 Favored 'Trans proline' 0 N--CA 1.444 -1.433 0 C-N-CA 122.753 2.302 . . . . 0.0 113.677 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -69.24 -47.66 64.1 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.017 0.437 . . . . 0.0 111.019 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.66 -3.57 59.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.492 0.663 . . . . 0.0 111.926 -177.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.71 -47.88 15.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.726 -1.124 . . . . 0.0 113.353 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.68 -40.91 92.86 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.564 0.221 . . . . 0.0 111.458 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.58 -41.03 69.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.453 0.701 . . . . 0.0 109.478 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 82' ' ' ILE . 53.1 t -75.31 -34.71 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.856 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HD1' ' A' ' 125' ' ' TYR . 18.6 m-30 -63.71 -44.85 92.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -61.08 -40.6 94.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.727 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.2 tmtm? -69.6 -34.09 73.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.921 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.429 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.8 m0 -72.3 -31.39 65.66 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 122.152 -0.342 . . . . 0.0 111.352 176.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.81 83.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.47 ' CG ' ' HZ3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -57.34 -25.11 58.89 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.524 1.13 . . . . 0.0 111.514 173.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HZ3' ' CG ' ' A' ' 98' ' ' ASP . 12.8 mmtm -105.72 3.07 28.55 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.68 16.11 80.85 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.286 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 96' ' ' TRP . 66.4 m-85 -64.81 131.0 45.58 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.062 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.527 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 20.8 p -114.39 143.82 44.29 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.162 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -47.83 -40.91 22.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.265 1.026 . . . . 0.0 112.264 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -63.94 -37.4 87.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.983 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -84.75 -32.46 23.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 3.2 tm? -58.18 -35.44 71.6 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.023 0.929 . . . . 0.0 109.326 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.9 m -57.87 -35.8 71.47 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.26 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.74 -36.73 23.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 61.6 m-85 -58.08 -49.18 77.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.539 0.685 . . . . 0.0 110.687 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.37 -34.21 36.64 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.683 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? 67.09 33.78 5.44 Favored 'General case' 0 C--O 1.249 1.061 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 8.3 p -79.31 -64.23 1.23 Allowed 'General case' 0 N--CA 1.423 -1.813 0 CA-C-N 113.525 -1.67 . . . . 0.0 113.549 -172.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 86.57 175.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.588 1.955 . . . . 0.0 109.265 -169.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -76.38 11.55 1.53 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.942 0.897 . . . . 0.0 113.248 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -169.15 146.13 3.54 Favored 'General case' 0 C--O 1.246 0.899 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.502 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . 128.84 -121.89 3.75 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 118.7 -1.714 . . . . 0.0 115.964 172.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.602 ' HD2' ' H ' ' A' ' 117' ' ' LYS . 1.1 mptt -70.39 -62.17 1.49 Allowed 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 122.181 0.991 . . . . 0.0 110.813 -171.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.456 ' HB2' ' HB3' ' A' ' 112' ' ' SER . 81.0 m-85 -92.53 26.84 2.49 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.112 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 116' ' ' GLY . 11.8 t70 -45.27 -48.11 12.91 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 126.312 1.845 . . . . 0.0 110.545 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -59.81 -56.41 22.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.942 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.14 -36.63 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.969 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -71.84 -53.51 13.04 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -36.39 80.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.26 76.62 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.435 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.501 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 50.2 t80 -59.2 -35.59 73.85 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.369 0.668 . . . . 0.0 112.158 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -49.31 -36.47 21.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.36 0.664 . . . . 0.0 112.051 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -58.81 -19.65 43.09 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.237 1.015 . . . . 0.0 112.025 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.7 OUTLIER -69.87 -13.58 62.33 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.737 -0.602 . . . . 0.0 110.481 -178.499 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmm180 -65.29 -23.64 67.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.43 20.37 19.01 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.978 0.894 . . . . 0.0 108.657 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -122.89 -39.03 2.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.614 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 63.0 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.264 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.648 ' N ' ' HG1' ' A' ' 65' ' ' THR . . . . . . . . 0 CA--C 1.492 -1.348 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.45 100.65 0.68 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.185 1.923 . . . . 0.0 110.651 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.13 -81.11 1.55 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.96 127.11 32.01 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.457 0.646 . . . . 0.0 109.903 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.648 ' HG1' ' N ' ' A' ' 61' ' ' GLY . 87.1 m -129.69 105.92 8.37 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.662 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.22 156.21 42.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.9 tp -144.13 8.23 1.41 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.173 0.987 . . . . 0.0 108.807 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -116.14 33.02 5.76 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.203 -173.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.579 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -101.69 -169.19 1.65 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.444 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -96.47 16.21 19.27 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.54 ' OE1' ' HB2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.28 -42.35 72.19 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.947 -0.471 . . . . 0.0 111.589 -174.741 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HG2' ' OE2' ' A' ' 71' ' ' GLU . 2.0 ptpp? -59.81 -36.12 76.12 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.162 0.506 . . . . 0.0 111.252 174.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.34 -18.9 61.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.913 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.11 -53.33 5.34 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.49 -36.78 66.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.996 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 66.7 mttm -56.0 -31.01 62.68 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -41.17 79.35 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.3 -42.62 75.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.57 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -60.19 -52.13 66.61 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.656 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -21.28 64.85 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 120.88 0.371 . . . . 0.0 111.88 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.19 65.18 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.925 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.29 -35.58 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.703 0.763 . . . . 0.0 109.407 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.21 -29.2 63.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.468 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.46 -54.85 3.11 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.527 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.7 t70 -110.73 126.8 28.06 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.922 -175.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -93.1 -7.83 2.48 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 122.581 2.187 . . . . 0.0 113.465 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -66.48 -42.9 86.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 121.153 0.501 . . . . 0.0 111.99 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -87.68 -4.91 58.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.23 -50.26 39.3 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.08 -46.72 45.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.565 0.746 . . . . 0.0 112.147 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 2.7 t70 -62.17 -42.81 99.63 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.626 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.17 -35.87 65.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.733 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.76 -52.87 62.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.27 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 5.1 pp0? -66.75 -31.87 72.79 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.179 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 3.3 ttmp? -72.74 -43.11 63.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.926 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -61.93 -35.45 78.46 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.652 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.93 82.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.392 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.54 -30.02 61.59 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.238 0.542 . . . . 0.0 110.553 -178.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -82.99 0.04 46.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.717 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.47 14.45 78.37 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.914 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.01 114.09 17.67 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.396 1.093 . . . . 0.0 110.952 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.524 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.6 p -94.18 156.24 16.65 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.83 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.9 tp -48.94 -41.73 34.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.803 0.841 . . . . 0.0 111.675 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.7 t -66.19 -31.77 72.8 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.794 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.39 -38.15 42.38 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.66 -31.64 69.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.557 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.7 m -59.15 -33.85 71.39 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.576 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.462 ' HA ' ' HZ2' ' A' ' 111' ' ' LYS . 30.6 t70 -70.72 -45.82 64.19 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.783 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.21 -34.67 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.284 0.99 . . . . 0.0 110.844 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.65 -42.13 18.56 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.755 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' A' ' 111' ' ' LYS . 3.3 ttpm? -48.24 115.08 1.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.062 0.945 . . . . 0.0 111.872 176.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.0 m -154.58 165.81 35.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -75.13 79.6 2.28 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 121.464 0.649 . . . . 0.0 112.651 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.5 t -167.05 179.87 4.98 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -81.41 158.75 24.51 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -65.33 88.29 0.1 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.54 -20.9 19.81 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 123.991 0.916 . . . . 0.0 110.573 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -75.13 26.65 0.09 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.346 1.058 . . . . 0.0 113.722 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -50.24 -63.13 1.21 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.16 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.57 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -85.14 -48.26 16.48 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.243 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.265 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -79.84 -54.65 5.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -64.56 -36.69 85.02 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 123.658 0.783 . . . . 0.0 109.935 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.79 -38.95 86.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.983 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.41 -26.81 64.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 122.672 -0.311 . . . . 0.0 111.002 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 48.6 ttm -51.77 -36.45 47.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.82 0.848 . . . . 0.0 112.059 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.6 m -60.16 -18.07 45.28 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 124.244 1.018 . . . . 0.0 112.826 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.524 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -67.32 -16.7 64.41 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 120.713 -1.242 . . . . 0.0 110.613 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -75.41 -12.33 60.23 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.279 0.631 . . . . 0.0 112.042 -178.432 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.02 -6.96 58.95 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -118.92 -36.34 3.45 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.65 -178.708 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.712 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -80.3 -175.32 2.64 Favored 'Trans proline' 0 C--O 1.243 0.745 0 C-N-CA 122.116 1.877 . . . . 0.0 110.139 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 71.98 1.89 Allowed Glycine 0 C--O 1.218 -0.863 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -141.2 -35.71 0.46 Allowed 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.032 0.444 . . . . 0.0 110.205 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.5 m -143.92 -75.03 0.25 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.134 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -103.42 135.99 44.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -83.13 98.8 9.52 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 120.733 0.301 . . . . 0.0 111.051 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 58.2 -171.15 0.11 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 111.369 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 63.7 mttm -148.1 75.32 1.33 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.187 0.518 . . . . 0.0 109.828 175.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -72.06 -15.44 62.02 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.75 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.7 tp10 -51.62 -30.66 22.2 Favored 'General case' 0 C--O 1.189 -2.086 0 C-N-CA 124.985 1.314 . . . . 0.0 112.494 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 13.7 ptpt -55.31 -33.36 63.23 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.42 -23.19 53.98 Favored 'General case' 0 C--O 1.263 1.787 0 CA-C-O 121.583 0.706 . . . . 0.0 110.518 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -34.41 22.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.782 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 71' ' ' GLU . 89.5 t -54.98 -55.49 15.77 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.588 0 O-C-N 123.753 0.658 . . . . 0.0 110.033 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.44 -27.98 67.93 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -44.62 56.31 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -79.9 -25.84 40.43 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.181 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.295 0.638 . . . . 0.0 109.949 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -37.32 85.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.591 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.16 68.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.468 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.22 -38.81 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-O 120.966 0.412 . . . . 0.0 111.225 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.0 ttp -65.47 -25.42 67.49 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 111.666 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.21 -38.83 16.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.511 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -149.28 122.29 4.45 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.259 0.623 . . . . 0.0 110.729 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.23 12.17 2.36 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.769 2.313 . . . . 0.0 114.009 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -69.44 -32.84 72.04 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.721 -0.612 . . . . 0.0 111.685 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -88.38 -7.05 57.29 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 121.865 -0.522 . . . . 0.0 111.342 178.612 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.54 ' HB1' ' CZ ' ' A' ' 93' ' ' TYR . . . -47.73 -59.51 3.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -46.97 -49.75 20.18 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.04 -35.3 71.92 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.782 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 57.9 t -67.07 -33.63 64.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.54 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 17.1 m-30 -67.9 -42.25 81.44 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -57.99 -45.7 86.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.745 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.99 -17.57 63.29 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.851 -179.313 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.414 ' NE1' HG22 ' A' ' 75' ' ' VAL . 12.3 m0 -81.59 -27.52 34.23 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.493 0.187 . . . . 0.0 111.054 174.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.64 92.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.7 -33.19 66.21 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.8 1.24 . . . . 0.0 111.276 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 44.9 mmtm -82.25 -3.63 55.55 Favored 'General case' 0 C--O 1.255 1.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.935 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.34 35.94 18.89 Favored Glycine 0 N--CA 1.432 -1.606 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.913 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -104.76 117.05 33.11 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.612 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.54 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.7 m -109.31 89.41 2.99 Favored 'General case' 0 N--CA 1.424 -1.754 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.695 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.6 tp 57.13 -78.23 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -63.39 -24.92 68.05 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 124.573 1.149 . . . . 0.0 113.243 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -63.22 -21.23 66.09 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.674 0.789 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 125' ' ' TYR . 18.0 tp -64.12 -18.59 64.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.974 0.416 . . . . 0.0 110.573 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.2 m -63.14 -33.25 75.06 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.141 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.32 -39.32 33.1 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.464 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 16.8 m-85 -67.08 -46.5 74.07 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.168 -177.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 118' ' ' TYR . 7.0 mp -81.68 -32.75 31.62 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.025 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 74.56 28.89 1.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 108.279 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.2 m -141.18 141.76 34.07 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.234 -1.348 . . . . 0.0 107.58 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HG3' ' OH ' ' A' ' 122' ' ' TYR . 52.2 tttp -142.02 101.94 4.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.3 m 73.09 -48.97 0.69 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.32 1.048 . . . . 0.0 110.902 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -105.46 125.03 50.53 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.61 -171.17 37.52 Favored Glycine 0 N--CA 1.432 -1.61 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 119' ' ' ASP 0.286 4.3 mmmp? -92.76 -18.84 22.42 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.405 ' HB3' HD23 ' A' ' 110' ' ' LEU . 99.3 m-85 -81.27 26.77 0.44 Allowed 'General case' 0 C--N 1.293 -1.874 0 O-C-N 123.964 0.79 . . . . 0.0 110.749 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -36.99 -63.5 0.42 Allowed 'General case' 0 C--O 1.247 0.931 0 C-N-CA 126.63 1.972 . . . . 0.0 114.439 -178.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -65.09 -41.2 95.21 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -75.28 -36.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.032 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.484 ' OH ' ' HG3' ' A' ' 113' ' ' LYS . 76.6 t80 -65.81 -57.83 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.085 0.469 . . . . 0.0 110.694 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.92 -23.46 61.47 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.872 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.33 -33.93 68.7 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.536 ' CD2' HD22 ' A' ' 106' ' ' LEU . 57.4 t80 -63.92 -32.15 73.58 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.632 0.773 . . . . 0.0 110.832 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -48.98 -39.06 25.09 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 0.0 112.412 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -55.19 -20.17 9.82 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.966 1.307 . . . . 0.0 113.151 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.54 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 1.1 p90 -74.5 -14.07 60.77 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.185 -0.947 . . . . 0.0 110.503 -177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -64.59 -20.21 66.12 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.77 2.85 56.53 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 123.616 0.573 . . . . 0.0 111.472 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 128' ' ' TYR . 26.6 m-85 -107.16 -38.69 5.92 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.282 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -178.393 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.409 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . . . . . . 0 N--CA 1.442 -0.905 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -98.82 31.24 0.12 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.326 2.684 . . . . 0.0 111.085 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.73 172.73 15.18 Favored Glycine 0 N--CA 1.435 -1.431 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -82.2 -39.42 23.16 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.829 0.315 . . . . 0.0 110.91 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.6 m -62.65 -50.03 72.82 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.479 0.656 . . . . 0.0 110.12 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 30.4 t70 -113.74 81.02 1.45 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' H ' ' A' ' 67' ' ' LEU . 2.3 pt? -90.85 0.89 57.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.642 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -78.49 167.44 21.29 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.823 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.73 11.21 1.63 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.229 176.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -92.75 -159.12 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.566 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' OE1' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -44.97 -48.23 11.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -66.0 -27.84 68.43 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.255 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 -19.41 24.1 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.687 0.756 . . . . 0.0 110.031 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.35 -46.1 18.31 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.552 0.741 . . . . 0.0 110.55 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.28 -34.2 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.524 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 62.6 mttp -61.03 -27.49 68.37 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.831 0.348 . . . . 0.0 111.398 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -65.67 -43.62 88.76 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.767 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -80.74 -32.5 35.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.549 ' O ' HG21 ' A' ' 121' ' ' VAL . . . -53.44 -59.29 4.77 Favored 'General case' 0 C--O 1.205 -1.281 0 O-C-N 123.772 0.67 . . . . 0.0 110.196 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.1 pptp? -63.5 -22.29 66.81 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.439 0.638 . . . . 0.0 111.988 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.04 44.3 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 120.981 0.42 . . . . 0.0 110.161 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 76.8 mt -83.23 -31.23 8.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 117' ' ' LYS . 11.8 ttt -44.69 -42.29 7.45 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.997 1.319 . . . . 0.0 110.761 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.27 -61.5 1.64 Allowed 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.113 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 6.6 t70 -99.0 118.09 63.28 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.72 -0.7 4.45 Favored 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.877 2.385 . . . . 0.0 112.993 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -75.29 -50.19 16.85 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HB3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -70.28 -6.04 32.1 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.844 0.83 . . . . 0.0 112.488 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -57.06 -36.12 70.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.926 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.32 -50.54 72.6 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 122.811 0.444 . . . . 0.0 111.8 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.35 -50.58 64.73 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.2 0.6 . . . . 0.0 111.397 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.92 -33.33 60.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.639 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 3.0 m-85 -64.24 -37.04 86.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.086 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -40.86 63.13 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.997 177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 8.8 tmtt? -60.07 -33.6 72.29 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.915 0.76 . . . . 0.0 109.442 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 101' ' ' TYR . 12.1 m0 -68.39 -47.9 66.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.739 -0.785 . . . . 0.0 111.961 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.05 76.94 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.013 0.435 . . . . 0.0 110.357 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -51.81 -38.91 57.63 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.993 1.717 . . . . 0.0 113.152 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.645 ' HB2' ' CE1' ' A' ' 101' ' ' TYR . 27.8 mmtm -106.67 2.7 26.06 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.01 70.38 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.308 -0.948 . . . . 0.0 112.684 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.645 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 96.6 m-85 -57.09 114.2 2.03 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.2 m -95.34 142.12 28.11 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.074 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -45.42 -38.23 5.84 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.93 1.292 . . . . 0.0 113.643 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.7 t -64.67 -30.51 71.53 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.2 -28.63 25.31 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.508 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 1.6 tm? -61.13 -39.65 90.82 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.7 t -64.0 -19.04 64.88 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.245 0.618 . . . . 0.0 111.949 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.86 -35.72 29.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.505 0.669 . . . . 0.0 109.287 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 6.8 m-85 -71.72 -48.02 49.99 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.169 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD13 HD13 ' A' ' 106' ' ' LEU . 8.9 mp -97.58 34.34 1.86 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.033 0.933 . . . . 0.0 110.312 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 111' ' ' LYS . 39.4 ttmt -60.38 -44.44 95.64 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.372 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.4 m -61.35 154.02 25.12 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -128.7 135.72 49.63 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.28 0.562 . . . . 0.0 111.454 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.49 ' HB ' ' CB ' ' A' ' 117' ' ' LYS . 24.2 m -154.95 136.38 14.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -65.51 115.33 5.63 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.822 0.701 . . . . 0.0 111.74 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.52 -5.2 73.85 Favored Glycine 0 N--CA 1.445 -0.707 0 O-C-N 123.838 0.711 . . . . 0.0 111.642 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.49 ' CB ' ' HB ' ' A' ' 114' ' ' THR . 3.0 tmtp? -93.58 -52.01 4.68 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.013 0.435 . . . . 0.0 111.239 -173.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -110.38 -31.53 7.26 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.782 -173.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -62.79 1.43 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.23 0.956 . . . . 0.0 111.828 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -47.67 -46.37 29.08 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.664 0.602 . . . . 0.0 111.355 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.549 HG21 ' O ' ' A' ' 79' ' ' ALA 0.345 12.7 t -66.16 -54.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.379 0.0 OUTLIER -85.03 -21.16 29.53 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 116.884 -1.927 . . . . 0.0 114.867 -177.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.14 76.7 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.28 50.05 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.508 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 48.9 t80 -60.89 -44.42 97.12 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.2 ptp -55.12 -22.79 18.05 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -59.6 -19.45 48.99 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.84 0.856 . . . . 0.0 111.226 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.32 -15.31 63.61 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.634 -0.666 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 6.2 mmm180 -66.69 -26.24 66.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.49 9.07 41.4 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.413 0.625 . . . . 0.0 109.928 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -120.75 -36.73 3.11 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.738 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.77 179.583 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.582 ' N ' HE22 ' A' ' 105' ' ' GLN . . . . . . . . 0 CA--C 1.501 -0.795 0 CA-C-O 119.053 -0.86 . . . . 0.0 111.638 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.49 -42.24 10.12 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 122.903 2.402 . . . . 0.0 113.513 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.76 131.42 34.22 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.28 69.48 2.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.923 0.868 . . . . 0.0 112.674 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -154.56 85.27 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -148.49 -169.04 3.25 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.73 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt 71.06 -66.76 0.28 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.172 1.389 . . . . 0.0 110.003 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -90.26 76.69 6.78 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -80.55 102.19 9.61 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.465 -170.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -96.59 175.68 6.3 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.41 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 75' ' ' VAL . 36.6 mt-10 72.71 2.21 4.28 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -53.31 -39.8 64.31 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.45 -18.87 59.76 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.154 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -33.89 22.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 71' ' ' GLU . 71.8 t -53.91 -37.8 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.279 0.632 . . . . 0.0 110.608 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 110' ' ' LEU . 35.8 mtmt -65.85 -17.95 65.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.61 -41.62 62.56 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.468 ' O ' HG12 ' A' ' 82' ' ' ILE . 97.0 mmm -77.68 -33.64 53.24 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.816 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -59.91 -37.33 79.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -60.03 -38.68 83.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.158 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.59 -30.85 64.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.008 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 78' ' ' MET . 46.7 mm -72.38 -38.24 60.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.742 0.782 . . . . 0.0 108.901 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.4 ttm -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.383 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.53 -55.56 4.6 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.888 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.588 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.0 t70 -122.77 125.34 26.4 Favored Pre-proline 0 C--O 1.247 0.97 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.292 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -93.15 -1.92 3.46 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 122.843 2.362 . . . . 0.0 113.418 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -71.59 -45.52 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -86.72 -5.63 59.06 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.622 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 82' ' ' ILE . . . -54.75 -37.69 66.24 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.45 -49.0 68.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.381 0.426 . . . . 0.0 111.925 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -53.83 -47.4 70.96 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.477 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.0 t -71.44 -29.97 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.083 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.636 -174.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 20.4 m-30 -66.06 -39.85 90.42 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.351 0.595 . . . . 0.0 109.752 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -30.42 45.8 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.862 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.618 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 4.8 tmtm? -71.17 -21.72 62.13 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 27.1 m0 -82.49 -31.32 29.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.908 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.49 87.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.187 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.511 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 2.4 p30 -67.27 -30.37 70.23 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.078 0.466 . . . . 0.0 111.402 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -80.46 -5.34 56.44 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.663 0.744 . . . . 0.0 110.42 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.41 ' O ' ' HA3' ' A' ' 61' ' ' GLY . . . 78.54 33.68 37.93 Favored Glycine 0 N--CA 1.408 -3.175 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.276 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.79 155.47 19.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.481 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 59.3 m -148.13 152.75 37.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.7 tp -45.07 -47.92 11.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.267 1.027 . . . . 0.0 113.083 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -65.68 -27.22 68.2 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 120.981 0.42 . . . . 0.0 112.007 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.582 HE22 ' N ' ' A' ' 61' ' ' GLY . 43.0 mt-30 -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.584 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 125' ' ' TYR . 16.0 tp -67.13 -29.5 69.24 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.7 m -58.74 -29.35 66.67 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.188 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -85.78 -41.23 15.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.184 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.442 ' O ' ' HD3' ' A' ' 76' ' ' LYS . 14.6 m-30 -63.53 -50.15 70.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.034 0.445 . . . . 0.0 111.698 -175.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 6.5 mp -79.69 -30.55 41.13 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 121.94 0.876 . . . . 0.0 108.893 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptp 73.42 78.06 0.13 Allowed 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 112.321 -2.218 . . . . 0.0 111.611 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 m -64.16 113.6 3.65 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 114.27 -1.332 . . . . 0.0 108.815 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 113' ' ' LYS . 4.0 tmtm? -161.3 -44.24 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.985 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -102.22 -13.07 17.56 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.214 0.531 . . . . 0.0 110.782 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 67.75 -73.35 0.08 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.776 1.23 . . . . 0.0 113.843 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.56 -14.85 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 C-N-CA 127.408 2.433 . . . . 0.0 118.897 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.76 ' NZ ' ' HA ' ' A' ' 117' ' ' LYS 0.311 0.1 OUTLIER -93.24 -47.3 6.99 Favored 'General case' 0 N--CA 1.406 -2.629 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 175.061 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -116.08 3.68 13.59 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -64.05 -30.13 71.22 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 118.975 0.807 . . . . 0.0 111.783 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -46.1 76.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.899 0.88 . . . . 0.0 109.473 174.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.404 HG11 ' HB1' ' A' ' 79' ' ' ALA . 7.6 p -83.9 -33.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.962 0.41 . . . . 0.0 111.201 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -59.89 -53.27 59.91 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.568 0.747 . . . . 0.0 110.494 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -62.42 -34.57 77.02 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.697 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.49 -37.93 86.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.688 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.6 ' CD2' HD22 ' A' ' 106' ' ' LEU . 77.7 t80 -69.26 -35.5 76.15 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.4 ttt -51.82 -37.49 52.01 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.498 0.719 . . . . 0.0 111.633 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.45 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 15.9 m -56.21 -18.84 11.43 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 124.765 1.226 . . . . 0.0 113.538 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.713 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -69.23 -18.44 63.88 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.642 -1.286 . . . . 0.0 111.232 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.635 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -71.54 -20.99 61.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.37 179.131 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 5.0 m-20 -84.02 -8.16 59.21 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.532 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.713 ' CE2' ' HA ' ' A' ' 128' ' ' TYR . 51.3 p90 -128.88 -37.2 1.74 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.505 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.891 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.61 80.96 2.79 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.833 1.689 . . . . 0.0 110.064 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.0 -167.91 13.17 Favored Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 tp -97.61 -85.66 0.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 m -135.99 10.29 3.32 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 122.77 1.271 . . . . 0.0 108.104 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 7.6 p-10 -78.98 171.89 14.58 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.998 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.6 mt 59.15 -166.28 0.18 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.478 0.711 . . . . 0.0 111.679 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -86.57 75.9 9.64 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.344 0.593 . . . . 0.0 110.82 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 23.8 pttm -151.64 9.21 0.53 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.159 174.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -68.87 -25.06 64.44 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.413 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.2 mt-10 -77.34 8.71 3.83 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -29.93 45.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.33 -19.79 30.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.71 15.23 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG13 ' CZ2' ' A' ' 96' ' ' TRP . 78.1 t -54.38 -43.93 64.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.278 1.031 . . . . 0.0 112.229 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.81 -29.46 62.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -40.49 47.08 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.802 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.7 mmt -73.11 -26.18 61.14 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.495 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.99 82.3 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.63 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -69.35 -26.83 64.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.251 -0.98 . . . . 0.0 110.386 177.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -64.82 -24.32 67.51 Favored 'General case' 0 C--O 1.197 -1.678 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.851 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.48 -44.62 17.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.761 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 21.0 ptt? -82.71 -21.9 34.66 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -173.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.04 -40.95 6.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.773 0.321 . . . . 0.0 111.357 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.642 ' OD2' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -125.53 64.94 50.14 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.284 -176.688 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.92 1.58 2.24 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.946 3.097 . . . . 0.0 115.583 -168.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 t -69.46 -39.68 77.6 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.057 0.456 . . . . 0.0 109.782 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -88.67 -5.2 58.28 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.0 -41.4 11.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -50.12 -53.63 26.12 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -60.27 -25.98 66.12 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.874 0.369 . . . . 0.0 111.93 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.61 -43.35 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 125' ' ' TYR . 6.9 m-85 -61.46 -42.74 99.24 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 120.937 0.399 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -23.67 59.44 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.457 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 12.8 tmtt? -78.51 -34.23 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.499 ' CZ2' HG13 ' A' ' 75' ' ' VAL . 38.9 m0 -75.5 -35.09 60.87 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.952 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.13 77.05 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.78 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.56 67.05 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -100.67 0.78 39.75 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.04 77.36 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.465 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -69.75 114.1 7.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.611 0.719 . . . . 0.0 109.53 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.508 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 18.0 p -100.63 166.33 10.95 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.648 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.21 -35.54 49.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.649 1.18 . . . . 0.0 112.967 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.7 t -74.72 -33.97 62.48 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.792 0.329 . . . . 0.0 111.435 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -83.1 -22.08 33.51 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.617 0.723 . . . . 0.0 109.133 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.435 HD11 ' CZ3' ' A' ' 96' ' ' TRP . 15.8 tp -64.92 -19.5 65.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.123 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 111' ' ' LYS . 41.1 t -69.28 -26.54 64.81 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.075 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.91 -20.96 29.91 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.943 0.878 . . . . 0.0 110.054 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -93.78 -50.12 5.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.91 -49.59 4.73 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 107' ' ' SER . 23.0 tptp -169.21 132.86 1.34 Allowed 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.897 -165.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m -62.48 90.3 0.03 OUTLIER 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.31 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 113' ' ' LYS 0.342 2.6 mptp? 78.74 96.33 0.06 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 176.222 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.65 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 6.5 m 43.87 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -85.57 154.72 21.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.235 -166.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 157.73 -129.6 2.38 Favored Glycine 0 C--O 1.209 -1.41 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.66 -29.93 32.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.54 . . . . 0.0 111.173 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.91 25.52 7.91 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.46 -57.36 4.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.282 1.433 . . . . 0.0 111.926 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -58.74 -42.06 87.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.967 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -79.87 -43.07 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.542 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' A' ' 114' ' ' THR . 1.6 t80 -65.02 -60.88 2.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.187 0.595 . . . . 0.0 109.729 -176.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.779 0.832 . . . . 0.0 110.811 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.12 72.41 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.562 ' O ' ' HD1' ' A' ' 128' ' ' TYR . 16.4 m-85 -71.09 -22.63 62.08 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 52.1 ttm -48.77 -34.01 11.42 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 m -68.67 -24.57 64.53 Favored 'General case' 0 C--O 1.196 -1.76 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.562 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.5 OUTLIER -70.94 -12.31 61.46 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-N 118.459 0.572 . . . . 0.0 111.555 -174.186 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -60.47 -5.86 1.36 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -174.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.24 -17.88 17.12 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 118.226 0.466 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.14 -37.65 8.48 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.242 0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.099 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.987 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.2 -43.39 47.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 CA-C-N 119.938 1.869 . . . . 0.0 107.837 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.28 115.05 4.2 Favored Glycine 0 N--CA 1.419 -2.447 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -172.41 -52.82 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -86.04 88.78 7.64 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.153 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.424 ' CG ' ' HG2' ' A' ' 69' ' ' LYS . 14.4 t0 -84.5 114.97 22.33 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.667 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.87 -3.46 58.7 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.892 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -99.04 7.54 45.84 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.256 0.55 . . . . 0.0 109.627 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' HG2' ' CG ' ' A' ' 66' ' ' ASP . 41.6 mmtm -114.0 19.51 16.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.522 ' OG1' ' HG2' ' A' ' 72' ' ' LYS 0.353 13.3 t 59.16 136.42 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.463 2.305 . . . . 0.0 115.116 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -21.23 62.13 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.235 -1.348 . . . . 0.0 112.54 -177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 48.8 mmtt -65.34 -46.47 80.11 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.07 60.38 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.325 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.97 -56.62 3.47 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.93 -36.35 77.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -67.97 -17.66 64.5 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.52 -39.04 58.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.9 mtt -74.76 -37.45 62.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -58.31 -40.55 82.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.032 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -35.46 76.25 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.243 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.45 -39.81 81.34 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.623 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 57.6 mt -79.31 -23.0 12.41 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 CA-C-O 122.043 0.925 . . . . 0.0 110.463 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -64.96 -22.33 66.98 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.728 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.82 -55.73 2.37 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.496 0.665 . . . . 0.0 109.475 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.6 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 24.5 t0 -98.9 112.38 62.73 Favored Pre-proline 0 C--N 1.311 -1.086 0 C-N-CA 124.555 1.142 . . . . 0.0 110.566 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -95.9 5.83 1.97 Allowed 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 122.479 2.12 . . . . 0.0 112.878 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 t -92.63 -35.77 13.35 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 109.954 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -8.41 59.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.16 0.505 . . . . 0.0 110.352 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' CZ ' ' A' ' 93' ' ' TYR . . . -51.56 -45.96 63.25 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.27 -50.3 73.34 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -39.56 60.99 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.66 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.563 ' HB ' HD11 ' A' ' 82' ' ' ILE . 26.7 t -78.08 -38.54 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.839 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.439 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 16.6 m-30 -62.75 -48.2 80.24 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -57.11 -43.07 81.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.381 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.9 ptpp? -78.46 -27.26 46.33 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.416 -178.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -62.41 -28.15 69.59 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.98 -38.72 79.51 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.315 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -28.23 48.69 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.421 0.629 . . . . 0.0 109.724 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -81.56 0.76 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.784 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.3 9.24 85.28 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.103 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -93.31 113.13 25.23 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -105.63 165.97 10.78 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.991 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.3 tp -43.91 -54.1 5.59 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.758 1.223 . . . . 0.0 112.543 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -60.84 -35.93 77.81 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -85.12 -27.44 26.24 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 121.055 0.455 . . . . 0.0 110.1 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.88 -27.55 66.76 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.896 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -64.26 -31.92 73.31 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.57 -52.97 62.9 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.371 0.668 . . . . 0.0 110.275 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.02 -49.8 54.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.318 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 121' ' ' VAL . 8.1 mp -75.31 -17.96 60.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -167.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 115' ' ' ARG . 47.1 mttp -87.09 166.71 14.8 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 t -177.88 115.65 0.08 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.461 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.406 ' HG2' ' OG1' ' A' ' 114' ' ' THR . 51.9 tttm 66.25 -72.84 0.08 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.406 ' OG1' ' HG2' ' A' ' 113' ' ' LYS . 25.0 m -145.91 123.4 11.72 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 9.7 mmm180 65.84 -78.26 0.04 OUTLIER 'General case' 0 C--O 1.201 -1.484 0 O-C-N 124.276 0.985 . . . . 0.0 109.334 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.38 149.19 4.91 Favored Glycine 0 N--CA 1.424 -2.116 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 117' ' ' LYS . 13.0 tmtt? -73.16 -27.8 61.86 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -114.99 25.86 10.59 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.403 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.56 -19.07 61.56 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.646 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -55.83 -54.35 45.63 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-O 121.344 0.592 . . . . 0.0 109.86 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 79' ' ' ALA . 2.9 p -69.4 -32.05 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.518 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -64.6 -52.01 59.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 111.233 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -32.53 74.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.12 -32.22 58.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.895 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.43 -31.51 72.23 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.275 1.03 . . . . 0.0 111.532 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.9 tpt -51.74 -28.48 15.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.076 0.95 . . . . 0.0 112.246 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.3 m -57.59 -23.76 52.61 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.81 0.844 . . . . 0.0 112.247 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.513 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -72.86 -17.73 61.5 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.711 -0.618 . . . . 0.0 111.212 -176.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.522 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -70.32 0.39 6.55 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.027 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -86.04 -26.76 25.18 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -117.67 -28.47 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.522 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 45.5 t . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.039 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -73.44 -12.67 25.07 Favored 'Trans proline' 0 N--CA 1.481 0.756 0 C-N-CA 122.788 2.325 . . . . 0.0 111.093 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.4 -179.63 28.15 Favored Glycine 0 N--CA 1.417 -2.629 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.47 95.49 9.3 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 117.326 0.563 . . . . 0.0 109.566 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -139.58 -18.37 0.97 Allowed 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.46 0.648 . . . . 0.0 109.608 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.78 -59.99 4.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.17 1.388 . . . . 0.0 111.007 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -103.86 98.8 8.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.269 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -73.64 78.19 1.51 Allowed 'General case' 0 C--O 1.244 0.798 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.471 ' HD3' ' CZ ' ' A' ' 109' ' ' PHE . 24.7 tttm 53.1 -161.28 0.11 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.544 1.937 . . . . 0.0 111.586 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.3 -50.48 1.53 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -174.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.2 9.74 1.89 Allowed 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -166.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.15 -41.47 62.6 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' O ' ' HD3' ' A' ' 77' ' ' LYS . . . -68.12 -29.38 68.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.771 0.319 . . . . 0.0 111.832 -176.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.76 -43.4 14.29 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.004 0.43 . . . . 0.0 109.983 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG13 ' CZ2' ' A' ' 96' ' ' TRP . 90.7 t -61.16 -35.2 64.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.621 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 28.7 mtpp -67.57 -24.0 65.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 73' ' ' ALA . 5.3 mptp? -82.62 -35.13 27.29 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.281 0.562 . . . . 0.0 109.521 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.1 mmt -72.29 -26.51 61.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.248 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.1 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 80' ' ' LYS . 11.6 tmtt? -61.19 -44.4 97.35 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -60.44 -23.88 64.76 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.418 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.5 -59.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.9 ttp -58.56 -45.06 89.79 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.231 -173.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.52 -25.5 19.23 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 123.881 0.738 . . . . 0.0 112.015 -175.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 5.2 m-20 -112.75 79.99 3.56 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.1 -34.14 29.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.223 1.949 . . . . 0.0 114.959 -168.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -82.48 -18.41 41.76 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.646 0.736 . . . . 0.0 109.721 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HE2' ' HB1' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -87.94 -15.08 37.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.699 -178.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.83 -37.99 20.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.86 -38.61 88.91 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 120.639 0.256 . . . . 0.0 111.155 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -37.52 61.76 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.683 0.754 . . . . 0.0 110.961 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 18.9 t -81.8 -40.3 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.33 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -62.47 -48.89 77.62 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -61.11 -43.02 99.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.178 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.0 ptpp? -75.18 -28.93 60.23 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.9 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.459 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 25.0 m0 -66.17 -23.48 66.47 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.756 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.89 66.58 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.426 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -24.93 56.08 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.483 0.659 . . . . 0.0 109.702 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.612 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -75.41 -6.68 51.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.387 175.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.89 7.53 64.33 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.459 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -77.23 114.11 15.69 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.233 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.7 24.6 10.93 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.201 1.4 . . . . 0.0 113.255 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 125' ' ' TYR . 69.1 tp 62.79 73.64 0.46 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.331 1.062 . . . . 0.0 110.907 -174.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.63 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.196 -1.366 . . . . 0.0 109.766 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -58.83 -26.17 63.9 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.835 1.254 . . . . 0.0 112.09 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 125' ' ' TYR . 23.4 tp -53.55 -33.12 53.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.11 0.964 . . . . 0.0 111.223 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -60.61 -33.03 72.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.436 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.44 -42.59 15.48 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.38 -0.528 . . . . 0.0 112.273 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.471 ' CZ ' ' HD3' ' A' ' 69' ' ' LYS . 36.8 m-85 -58.49 -48.93 79.18 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.902 0.858 . . . . 0.0 111.025 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 118' ' ' TYR . 7.8 mp -71.76 -47.55 52.9 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 84.61 127.05 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 126.879 2.072 . . . . 0.0 111.895 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.552 ' HB2' ' HD3' ' A' ' 115' ' ' ARG 0.256 94.9 p 68.18 19.74 9.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.985 1.714 . . . . 0.0 111.416 -174.343 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 67.73 -82.74 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 125.891 1.676 . . . . 0.0 115.282 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.4 m -130.17 24.61 5.23 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.971 0.891 . . . . 0.0 110.292 -171.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HD3' ' HB2' ' A' ' 112' ' ' SER . 30.7 mtp-105 -78.49 95.12 5.08 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.167 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.49 -129.99 9.16 Favored Glycine 0 N--CA 1.42 -2.42 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.937 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 119' ' ' ASP . 12.5 tptp -69.3 -17.84 63.77 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -172.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HB3' HD23 ' A' ' 110' ' ' LEU . 21.4 m-85 -71.55 14.81 0.16 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -45.57 -64.35 0.75 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.537 1.535 . . . . 0.0 113.6 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -75.05 -32.97 61.67 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.74 -40.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.216 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -69.13 -53.19 21.45 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.042 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.57 -47.44 84.25 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.629 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.55 -43.21 99.14 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.596 ' CD2' HD22 ' A' ' 106' ' ' LEU . 71.5 t80 -62.09 -51.2 68.88 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.718 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -57.69 -22.07 44.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.3 m -67.24 -19.71 65.56 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.536 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 1.5 p90 -68.95 -13.36 62.4 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.555 -0.716 . . . . 0.0 111.357 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.504 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 18.3 mmm-85 -66.71 2.94 1.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.35 -31.13 57.9 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 172.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -79.85 -32.87 40.55 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.504 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 8.0 p . . . . . 0 C--O 1.249 1.074 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.216 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.96 148.56 19.68 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.154 1.902 . . . . 0.0 111.35 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.73 58.09 5.03 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.8 tp -82.34 114.9 21.12 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m 72.45 19.17 4.31 Favored 'General case' 0 CA--C 1.56 1.33 0 O-C-N 124.169 0.918 . . . . 0.0 110.011 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.495 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 28.4 t70 -59.18 -31.16 68.76 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.265 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 67' ' ' LEU . 2.4 pt? -66.8 -1.43 3.88 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.719 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.42 -23.22 64.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.095 -0.378 . . . . 0.0 110.556 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' A' ' 66' ' ' ASP . 39.9 mtmt -66.24 -7.28 17.42 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.914 0.886 . . . . 0.0 112.69 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 p -61.84 133.81 55.93 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE1' ' HE3' ' A' ' 95' ' ' LYS . 31.0 tt0 -78.07 14.51 1.13 Allowed 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.277 0.56 . . . . 0.0 111.24 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -48.99 -25.83 2.19 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.536 1.534 . . . . 0.0 114.597 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.87 -29.21 17.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.96 0.409 . . . . 0.0 111.895 -176.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.17 13.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.472 HG23 ' HE1' ' A' ' 96' ' ' TRP . 14.4 p -55.58 -38.95 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.338 0.655 . . . . 0.0 112.041 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.86 -27.59 68.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -74.2 -44.42 53.39 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.66 -42.11 95.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.776 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -60.73 -52.61 64.36 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.721 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -21.25 64.28 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.922 0.391 . . . . 0.0 111.841 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.86 66.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 58.3 mt -70.92 -36.18 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.207 0.527 . . . . 0.0 110.103 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.2 ttt -56.13 -25.94 48.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.952 0.901 . . . . 0.0 111.337 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.39 -22.85 14.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.662 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.8 t70 -152.76 119.47 3.04 Favored Pre-proline 0 C--O 1.249 1.058 0 C-N-CA 122.321 0.248 . . . . 0.0 110.779 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -92.73 2.06 3.72 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 122.57 2.18 . . . . 0.0 113.19 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.6 m -70.92 -45.06 64.89 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 117.602 0.183 . . . . 0.0 111.415 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -87.06 -4.5 59.16 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.22 -23.48 55.92 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -62.11 -52.09 65.28 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 122.845 0.458 . . . . 0.0 111.603 -174.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.23 -29.87 69.63 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.248 0.546 . . . . 0.0 111.043 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.1 t -63.6 -31.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.372 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.19 -35.74 74.15 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -66.28 -42.76 87.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.901 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' ' OE1' ' A' ' 71' ' ' GLU . 7.2 tmtm? -60.92 -36.53 79.55 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.674 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.472 ' HE1' HG23 ' A' ' 75' ' ' VAL . 23.3 m0 -70.41 -24.03 62.85 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.333 -0.854 . . . . 0.0 112.208 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.28 -24.7 63.09 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.497 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -68.56 -21.83 64.52 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 121.632 0.73 . . . . 0.0 109.49 177.48 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.497 ' HD2' ' CG ' ' A' ' 98' ' ' ASP . 17.0 mmmt -91.86 -15.07 28.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.779 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.07 24.79 68.09 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.441 -176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.527 ' CD2' HD13 ' A' ' 106' ' ' LEU . 19.0 m-85 -67.53 114.15 5.95 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.304 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 m -98.87 94.35 6.53 Favored 'General case' 0 N--CA 1.425 -1.692 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.309 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.434 ' HA ' ' CE2' ' A' ' 125' ' ' TYR . 51.5 tp 38.09 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.386 2.274 . . . . 0.0 115.187 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 107' ' ' SER . 10.0 t -63.5 -20.79 65.9 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.945 1.298 . . . . 0.0 112.252 -175.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.8 -25.14 33.01 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 101' ' ' TYR . 67.1 tp -72.53 -25.79 61.51 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 104' ' ' THR . 17.6 m -61.02 -18.75 59.47 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.033 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 0.4 OUTLIER -84.72 -34.87 22.82 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 174.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.439 ' HB3' HG11 ' A' ' 75' ' ' VAL . 90.2 m-85 -68.47 -22.82 64.54 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.364 1.078 . . . . 0.0 109.146 175.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mp -107.7 3.63 24.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.744 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 108' ' ' ASP 0.443 62.0 mttm 26.64 61.88 0.08 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.0 m -107.64 -17.89 13.98 Favored 'General case' 0 N--CA 1.408 -2.568 0 CA-C-N 113.764 -1.562 . . . . 0.0 112.378 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . 0.306 24.2 pttm -84.33 65.89 9.1 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.002 1.382 . . . . 0.0 111.209 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -168.35 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -177.73 108.1 0.06 Allowed 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.786 -1.552 . . . . 0.0 107.198 175.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -65.3 110.79 3.71 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-N 115.428 -0.805 . . . . 0.0 115.013 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.623 ' HD2' ' H ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -93.98 -21.44 19.18 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.018 0.913 . . . . 0.0 109.221 174.092 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.432 ' HB3' ' CG1' ' A' ' 121' ' ' VAL . 81.9 m-85 -97.69 26.48 5.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.3 178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.9 -52.07 3.11 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.246 1.018 . . . . 0.0 112.851 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 4.8 mmp_? -53.82 -44.12 69.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 79' ' ' ALA . 14.8 p -82.72 -31.81 9.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.385 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -62.26 -44.69 95.97 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.517 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -50.75 64.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 123.564 0.54 . . . . 0.0 110.367 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.9 -45.15 94.87 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.644 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 103' ' ' LEU . 43.4 t80 -59.72 -47.66 84.76 Favored 'General case' 0 C--O 1.209 -1.035 0 C-N-CA 122.797 0.439 . . . . 0.0 111.65 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.0 ttt -53.93 -29.17 41.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.315 1.046 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.9 m -66.18 -19.5 65.85 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.747 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.516 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -68.12 -19.65 64.85 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 121.298 -0.876 . . . . 0.0 111.031 -177.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -69.23 -0.12 5.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -84.44 -28.58 26.75 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.68 -25.42 5.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.929 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.491 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 41.0 t . . . . . 0 C--N 1.316 -0.855 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.113 0 N-CA-C 107.376 -2.29 . . . . 0.0 107.376 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.61 88.39 1.04 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 106.808 -2.035 . . . . 0.0 106.808 169.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.53 144.82 12.79 Favored Glycine 0 C--O 1.274 2.612 0 N-CA-C 108.789 -1.725 . . . . 0.0 108.789 -171.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.33 -69.58 0.84 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.267 0.556 . . . . 0.0 109.704 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.406 HG21 ' HG2' ' A' ' 105' ' ' GLN . 30.7 m -163.54 36.95 0.09 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.83 -78.92 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.045 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 tp -140.3 80.74 1.77 Allowed 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.235 0.54 . . . . 0.0 109.937 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 15.4 p90 -174.26 -173.71 0.81 Allowed 'General case' 0 C--O 1.247 0.935 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' HG3' ' CD2' ' A' ' 68' ' ' PHE . 7.8 mtpm? 70.65 97.98 0.07 Allowed 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.108 0.88 . . . . 0.0 109.992 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -94.8 7.07 47.09 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.192 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -16.1 61.08 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.511 -0.743 . . . . 0.0 109.848 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -46.48 -37.28 7.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.627 1.171 . . . . 0.0 112.767 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.89 64.9 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.164 0.506 . . . . 0.0 111.785 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.59 -35.12 21.22 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.511 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -58.26 -27.13 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.31 -41.66 73.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 0.0 110.091 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.07 -28.6 57.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.401 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -61.54 -48.76 79.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.303 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -36.13 81.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.407 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.79 82.52 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 71.2 mt -70.46 -25.09 26.27 Favored 'Isoleucine or valine' 0 C--O 1.251 1.177 0 CA-C-O 122.126 0.965 . . . . 0.0 110.575 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ttt -71.86 -19.8 61.9 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.906 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.55 -49.76 4.3 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 13.1 t70 -118.88 127.21 26.66 Favored Pre-proline 0 C--N 1.312 -1.046 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.407 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -95.86 6.8 1.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.303 2.002 . . . . 0.0 112.949 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -87.69 -52.05 5.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.749 0.309 . . . . 0.0 110.356 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -73.07 -4.2 31.09 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -176.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.59 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.162 0.985 . . . . 0.0 112.301 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -56.94 -52.0 66.94 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.857 0.863 . . . . 0.0 110.62 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 94' ' ' GLN . 1.4 t70 -55.68 -37.24 68.07 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.202 1.401 . . . . 0.0 112.17 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 82' ' ' ILE . 23.7 t -77.38 -40.3 28.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.852 -176.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.09 -35.46 80.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.564 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 21.2 tt0 -56.78 -57.34 12.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.264 173.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.571 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.4 tmtt? -61.09 -24.89 66.57 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.792 0.837 . . . . 0.0 110.395 -178.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.408 ' HA ' ' CD2' ' A' ' 101' ' ' TYR . 42.3 m0 -83.5 -49.23 9.47 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.509 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.57 -27.02 62.87 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -23.7 52.95 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.398 0.618 . . . . 0.0 110.186 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -93.73 -7.72 42.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.133 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.67 30.77 52.0 Favored Glycine 0 N--CA 1.434 -1.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.405 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 96' ' ' TRP . 23.6 m-85 -74.08 135.78 42.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.334 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.504 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 25.5 p -98.69 159.75 14.74 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.159 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.77 -37.91 60.22 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.409 0.684 . . . . 0.0 112.345 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.3 t -66.48 -36.91 83.9 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.067 0.46 . . . . 0.0 110.758 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' A' ' 65' ' ' THR . 97.1 mt-30 -75.59 -34.0 60.61 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 125' ' ' TYR . 3.3 tm? -63.12 -34.77 78.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.511 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -60.33 -50.42 73.71 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.02 -31.08 69.62 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.946 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.417 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 22.3 m-30 -72.01 -49.14 39.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.334 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.89 -43.84 34.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.26 -71.15 0.72 Allowed 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.7 t 171.06 -165.27 0.02 OUTLIER 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 101.426 -3.546 . . . . 0.0 101.426 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 114' ' ' THR . 37.2 mttm -79.56 72.09 6.2 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 119.501 1.046 . . . . 0.0 110.355 -176.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 175.3 171.42 0.3 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 128.494 2.718 . . . . 0.0 107.852 178.033 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.589 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 28.8 ttp180 -82.39 167.15 18.79 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -152.33 -149.8 5.21 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.19 -25.54 68.39 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.701 1.239 . . . . 0.0 109.979 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.42 26.36 0.79 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.717 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.589 ' OD1' ' HD2' ' A' ' 115' ' ' ARG . 35.7 t70 -55.81 -39.58 71.53 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.647 0.26 . . . . 0.0 111.206 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -53.45 -44.73 69.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.3 p -83.96 -33.95 9.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.167 0.508 . . . . 0.0 110.631 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -69.15 -57.76 4.96 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.359 0.664 . . . . 0.0 112.222 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.95 -31.43 72.0 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.12 -35.11 82.8 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.361 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.532 ' CD2' ' HG ' ' A' ' 106' ' ' LEU . 51.7 t80 -67.29 -28.75 68.28 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.116 0.567 . . . . 0.0 111.973 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.2 tpt -50.85 -32.67 20.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.288 0.635 . . . . 0.0 112.223 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -55.6 -19.63 10.91 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.242 1.017 . . . . 0.0 112.49 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.504 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -78.17 -20.4 52.05 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.427 -0.795 . . . . 0.0 110.363 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -76.11 -10.58 59.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.44 -167.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.49 -2.84 32.09 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.942 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -127.24 -36.29 2.14 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.143 -177.828 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.605 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.23 169.2 21.27 Favored 'Trans proline' 0 C--O 1.24 0.612 0 C-N-CA 122.183 1.922 . . . . 0.0 110.424 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.24 165.95 32.47 Favored Glycine 0 N--CA 1.428 -1.849 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -163.2 -48.26 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.3 t -146.86 164.7 32.01 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.95 138.46 32.47 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 123.751 0.657 . . . . 0.0 109.855 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.92 -15.07 12.41 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.15 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -77.53 -39.02 47.46 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.274 26.1 mtmm 89.17 78.12 0.01 OUTLIER 'General case' 0 C--O 1.242 0.665 0 C-N-CA 126.458 1.903 . . . . 0.0 113.654 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.252 32.3 p 66.88 27.04 9.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 126.601 1.961 . . . . 0.0 115.38 173.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 67.43 -39.19 0.37 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 171.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 30.9 pttt -42.36 -32.74 0.55 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -172.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.27 42.4 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.48 -39.46 18.88 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 120.91 0.386 . . . . 0.0 111.262 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 109' ' ' PHE . 12.4 p -57.93 -26.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.245 0.618 . . . . 0.0 111.501 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 68.0 mttm -62.27 -33.52 74.79 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.023 0.439 . . . . 0.0 110.825 176.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -69.32 -24.27 63.91 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.547 0.689 . . . . 0.0 110.762 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.0 mmt -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.7 81.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.917 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -62.17 -26.24 68.23 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.387 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.73 -39.13 22.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.392 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.9 mm -65.98 -32.03 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.37 1.081 . . . . 0.0 108.709 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.2 ttm -70.29 -25.9 63.54 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.681 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.57 -51.8 8.34 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.464 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 19.7 t70 -133.83 122.53 16.59 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.958 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -94.32 7.39 2.37 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 m -84.37 -42.15 16.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.597 0.713 . . . . 0.0 109.698 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.66 -5.37 59.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.288 177.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.65 -39.56 58.39 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.03 -38.38 62.34 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.15 -30.37 70.33 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 119.566 -0.853 . . . . 0.0 111.211 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.414 ' HA ' ' HB2' ' A' ' 95' ' ' LYS . 47.9 t -81.57 -28.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.02 -45.0 94.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.48 80.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.624 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 7.1 mmtm -67.65 -45.3 75.71 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.024 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.174 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.91 89.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.624 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -80.65 -12.77 59.44 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.845 0.831 . . . . 0.0 110.534 -177.019 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -4.09 37.92 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.8 22.19 67.0 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.316 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -98.78 113.86 26.15 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.6 p -103.67 172.2 6.94 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.919 0.137 . . . . 0.0 110.712 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.87 -42.39 68.55 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.867 0.867 . . . . 0.0 112.203 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -69.21 -28.12 66.09 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.46 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.81 -24.12 67.59 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.395 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 m -61.84 -30.24 70.71 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.135 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.82 -45.79 12.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.824 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' HB3' HG11 ' A' ' 75' ' ' VAL . 21.5 m-30 -52.39 -48.99 65.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.627 1.204 . . . . 0.0 111.519 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.8 -47.03 10.1 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.657 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? 62.05 48.32 5.19 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 123.263 1.506 . . . . 0.0 108.764 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 115' ' ' ARG . 33.0 t -65.99 -3.1 4.71 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.582 -176.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.619 ' NZ ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -92.17 -30.05 16.15 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 120.733 -1.23 . . . . 0.0 110.827 176.663 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.9 m -89.44 -40.73 12.51 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.6 mmp_? -116.5 93.26 4.14 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.27 34.54 2.43 Favored Glycine 0 C--O 1.211 -1.306 0 N-CA-C 114.23 0.452 . . . . 0.0 114.23 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 14.6 tptp -93.03 -18.83 22.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.708 0.766 . . . . 0.0 109.959 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -76.76 26.56 0.14 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 121.961 -0.462 . . . . 0.0 112.152 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.9 OUTLIER -42.96 -64.38 0.64 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.142 1.777 . . . . 0.0 113.803 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.34 -49.44 76.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.01 -43.07 89.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -174.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -71.76 -55.15 8.17 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.216 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.57 -37.16 92.35 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.544 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.88 -33.67 76.57 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.565 0.346 . . . . 0.0 111.674 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.8 ttt -50.33 -34.33 23.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.001 0.921 . . . . 0.0 112.395 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.2 m -57.38 -20.8 31.82 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.414 1.086 . . . . 0.0 112.342 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.457 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.9 OUTLIER -62.82 -24.73 67.91 Favored 'General case' 0 C--O 1.207 -1.162 0 O-C-N 121.77 -0.581 . . . . 0.0 111.003 -177.147 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.544 ' HA ' ' NE ' ' A' ' 129' ' ' ARG . 1.0 OUTLIER -64.97 -18.08 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.411 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.25 -11.18 50.43 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.478 0.486 . . . . 0.0 111.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -136.64 -27.84 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.927 179.705 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.54 ' N ' ' HG1' ' A' ' 65' ' ' THR . . . . . . . . 0 N--CA 1.476 1.347 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.62 -31.9 69.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.874 1.716 . . . . 0.0 108.736 173.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.12 162.27 24.49 Favored Glycine 0 N--CA 1.415 -2.724 0 N-CA-C 106.372 -2.691 . . . . 0.0 106.372 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp 61.54 76.53 0.36 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 122.197 0.998 . . . . 0.0 111.233 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.54 ' HG1' ' N ' ' A' ' 61' ' ' GLY . 18.3 m -143.01 20.74 1.95 Allowed 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 177.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.56 36.2 0.43 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 112.075 -2.329 . . . . 0.0 112.996 -169.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -85.88 82.14 8.27 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -152.22 -167.28 2.72 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 p -76.79 100.83 5.61 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -26.12 68.69 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -54.98 -48.0 73.85 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.545 1.164 . . . . 0.0 108.66 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' LYS . . . -76.59 -19.36 57.94 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.477 -1.692 . . . . 0.0 111.722 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.36 -56.95 3.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.838 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.76 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 76.4 tttt -70.19 -18.06 63.17 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.493 0.663 . . . . 0.0 111.198 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.5 tppp? -76.66 -29.9 56.57 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.0 mtt -82.57 -36.98 25.74 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -56.74 -41.13 76.97 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.626 0.771 . . . . 0.0 110.027 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.4 OUTLIER -57.99 -29.45 65.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.908 175.758 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.23 -35.75 47.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 0.0 111.601 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 92' ' ' VAL . 1.9 mp -74.4 -26.59 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.469 0.652 . . . . 0.0 110.397 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 27.3 ptm -70.3 -16.5 63.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.879 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.03 -58.4 2.41 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 18.6 t70 -115.0 115.66 43.1 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -95.44 13.26 1.29 Allowed 'Trans proline' 0 N--CA 1.436 -1.893 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 -43.81 9.21 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.523 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.14 -4.54 59.19 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.54 0.686 . . . . 0.0 110.755 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.85 -32.75 15.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.464 -1.244 . . . . 0.0 113.186 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.23 -49.94 70.72 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -54.86 -42.61 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.706 1.202 . . . . 0.0 111.859 176.007 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 82' ' ' ILE . 55.3 t -74.38 -32.34 30.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.757 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -68.54 -47.02 67.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 4.8 pp0? -66.35 -36.61 83.34 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.542 -177.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -75.76 -17.49 59.87 Favored 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.406 179.465 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -79.31 -40.66 29.83 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.115 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.07 96.4 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.941 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.492 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -74.13 -20.44 60.24 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.921 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 47.7 mmtm -90.16 -2.48 58.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.822 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.84 12.03 58.35 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.846 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -72.34 125.84 28.37 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.128 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -104.34 142.65 34.18 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.883 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -42.15 -45.1 3.92 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.184 1.394 . . . . 0.0 113.103 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -56.55 -32.6 65.31 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -77.54 -22.22 51.39 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 122.638 0.375 . . . . 0.0 110.78 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CD2' ' A' ' 125' ' ' TYR . 20.8 tp -67.69 -26.35 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 0.0 109.838 -176.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m -62.22 -33.59 74.85 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.929 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 29.4 t70 -75.42 -34.19 61.0 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.398 0.618 . . . . 0.0 110.689 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 19.0 m-85 -75.11 -49.0 21.03 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -86.85 22.81 1.87 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.286 0.846 . . . . 0.0 113.286 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 108' ' ' ASP . 24.8 pttm -79.41 -179.97 7.1 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m 63.4 35.71 11.99 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -35.31 -57.55 0.59 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.218 2.207 . . . . 0.0 113.95 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.9 p 45.06 71.29 0.28 Allowed 'General case' 0 C--O 1.252 1.222 0 O-C-N 124.206 0.941 . . . . 0.0 113.083 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 77.41 161.5 0.22 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.324 1.45 . . . . 0.0 110.471 -173.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.46 71.66 1.03 Allowed Glycine 0 CA--C 1.519 0.293 0 O-C-N 123.356 0.41 . . . . 0.0 113.935 -175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -90.23 -60.68 1.86 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.077 0.465 . . . . 0.0 110.217 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -88.92 4.99 46.08 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 121.263 0.554 . . . . 0.0 110.384 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.84 -23.82 66.07 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.41 -55.88 17.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.1 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.458 HG11 ' HB1' ' A' ' 79' ' ' ALA . 4.8 p -68.25 -36.82 76.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.776 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -64.45 -58.62 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.426 0.155 . . . . 0.0 111.388 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -62.27 -35.67 79.69 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.479 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.12 -49.79 68.64 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.546 ' CD2' HD22 ' A' ' 106' ' ' LEU . 69.8 t80 -61.79 -38.7 89.03 Favored 'General case' 0 C--O 1.195 -1.79 0 C-N-CA 122.752 0.421 . . . . 0.0 110.828 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -51.52 -33.11 30.39 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.618 0.767 . . . . 0.0 111.732 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.2 m -65.21 -19.57 66.03 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.623 0.769 . . . . 0.0 111.672 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.9 OUTLIER -66.35 -18.45 65.37 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.48 -0.762 . . . . 0.0 110.174 -178.469 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.2 mmm180 -65.78 -13.72 59.98 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.28 -17.38 27.54 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.473 0.654 . . . . 0.0 110.278 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -118.41 -36.71 3.47 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -173.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.239 0.542 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.88 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.139 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -100.91 31.33 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.959 2.439 . . . . 0.0 111.556 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 57.84 0.66 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -154.57 -45.44 0.09 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.821 0.819 . . . . 0.0 110.378 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -146.13 85.67 1.68 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.41 -77.46 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.293 -169.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.74 -14.57 56.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.315 0.579 . . . . 0.0 111.015 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -78.22 81.87 4.57 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.798 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -152.68 103.95 2.84 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.962 0.887 . . . . 0.0 109.792 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 p -110.5 30.74 6.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.918 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 9.77 1.58 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.6 -29.45 70.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.238 0.542 . . . . 0.0 110.877 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.06 -20.66 64.1 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.971 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.51 -44.26 12.84 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.05 -37.85 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.01 0.924 . . . . 0.0 111.589 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -61.32 -22.44 64.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -35.18 46.27 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.62 -42.08 78.58 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.112 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.3 61.07 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.38 -43.9 22.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.449 HD11 HG21 ' A' ' 92' ' ' VAL . 1.7 mp -67.88 -31.3 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.74 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.76 -24.77 67.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.61 -55.27 3.86 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD2' ' HG2' ' A' ' 88' ' ' LYS . 12.2 t70 -108.03 116.33 57.18 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.242 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.04 -5.43 7.71 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 122.423 2.082 . . . . 0.0 113.167 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -69.58 -45.01 69.65 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-O 120.876 0.37 . . . . 0.0 110.925 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 85' ' ' ASP . 8.6 ptpp? -86.81 -7.05 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.542 0.687 . . . . 0.0 110.429 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.77 95.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -168.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 9.7 t70 -65.37 -46.3 80.7 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-O 121.037 0.446 . . . . 0.0 110.431 -174.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.7 -28.09 65.46 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.628 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG21 HD11 ' A' ' 82' ' ' ILE . 88.2 t -83.5 -35.19 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 20.0 m-85 -63.35 -48.26 78.72 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.8 -32.26 73.68 Favored 'General case' 0 C--O 1.198 -1.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.73 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tmmm? -70.04 -28.56 65.56 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 121.648 0.737 . . . . 0.0 109.823 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -71.0 -41.97 70.24 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.611 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.62 84.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.047 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -23.07 65.13 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.562 0.696 . . . . 0.0 111.233 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.619 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -93.88 1.83 56.29 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.056 -0.403 . . . . 0.0 110.911 175.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 4.4 68.83 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.941 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -85.9 113.51 22.09 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t -111.67 165.17 12.26 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.833 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.1 tp -71.26 81.82 0.74 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.958 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.8 t 170.05 -42.31 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.837 2.055 . . . . 0.0 106.233 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -85.07 -40.66 16.56 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.044 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.27 -28.33 67.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.334 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.8 m -63.94 -26.0 68.39 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.435 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.21 -26.21 28.9 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-O 121.214 0.53 . . . . 0.0 111.148 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -66.48 -47.4 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.34 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.92 -32.41 40.16 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.562 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 111' ' ' LYS . 32.8 tptt 66.71 50.4 1.17 Allowed 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -174.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.7 m -52.52 157.68 1.46 Allowed 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 110.589 -3.005 . . . . 0.0 116.154 -170.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' HZ2' ' HB3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -152.03 118.88 5.77 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 170.611 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -69.66 20.87 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 125.438 1.495 . . . . 0.0 113.452 -172.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.567 ' HA ' ' OD2' ' A' ' 119' ' ' ASP . 1.6 tpm_? -153.27 131.82 12.2 Favored 'General case' 0 N--CA 1.422 -1.865 0 O-C-N 121.567 -0.708 . . . . 0.0 109.508 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.77 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 116.604 1.402 . . . . 0.0 116.604 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.645 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -93.15 -62.35 1.39 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -174.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -112.29 25.32 11.64 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 115' ' ' ARG . 12.2 t0 -49.06 -63.24 1.16 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 126.399 1.88 . . . . 0.0 111.288 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.22 -39.77 93.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.813 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.96 -38.65 43.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.098 -0.641 . . . . 0.0 112.025 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.88 -52.78 47.26 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.53 -32.32 73.91 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.21 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -46.18 60.73 Favored Glycine 0 N--CA 1.438 -1.229 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -63.62 -37.44 87.32 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.387 0.675 . . . . 0.0 110.971 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.8 ttp -50.61 -31.94 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.185 0.994 . . . . 0.0 112.148 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -58.67 -24.44 61.26 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -13.98 62.72 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.892 -0.505 . . . . 0.0 110.892 -176.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -61.89 -6.09 2.54 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.48 -28.9 18.26 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.486 0.491 . . . . 0.0 111.021 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -86.7 -38.29 17.13 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.667 -0.813 . . . . 0.0 112.749 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.248 1.015 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.389 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.671 ' N ' ' HG1' ' A' ' 65' ' ' THR . . . . . . . . 0 N--CA 1.481 1.65 0 CA-C-O 117.211 -1.883 . . . . 0.0 109.115 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -36.42 131.25 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 124.783 3.656 . . . . 0.0 114.425 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.16 -55.38 1.29 Allowed Glycine 0 C--O 1.216 -1.022 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -89.41 -11.65 42.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.286 1.041 . . . . 0.0 108.542 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.671 ' HG1' ' N ' ' A' ' 61' ' ' GLY . 2.2 m -158.17 99.74 1.66 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 67' ' ' LEU . 6.8 p-10 -94.6 -83.63 0.34 Allowed 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.969 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 97.8 mt -121.13 -178.62 3.81 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -86.87 21.03 2.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.043 0.449 . . . . 0.0 110.803 -177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 9.7 mmpt? 58.04 43.37 21.11 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.296 81.0 p 87.05 111.26 0.04 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.621 2.768 . . . . 0.0 109.368 -170.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -63.85 9.91 0.06 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 126.815 2.046 . . . . 0.0 114.81 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -51.91 -34.11 39.99 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 123.736 0.814 . . . . 0.0 112.484 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -78.36 -22.06 48.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.505 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.65 -47.54 9.72 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.2 -49.25 77.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.122 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.03 -17.62 63.54 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -69.77 -53.02 20.26 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.445 ' O ' HG13 ' A' ' 82' ' ' ILE . 18.6 mmt -68.84 -38.09 79.57 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 124.218 0.949 . . . . 0.0 112.121 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.476 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -53.03 -59.37 4.63 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 124.368 1.042 . . . . 0.0 110.967 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -22.85 66.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.913 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.85 -30.85 67.36 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 66.4 mt -80.4 -22.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.879 0.847 . . . . 0.0 108.769 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 120' ' ' ARG . 64.8 ttp -61.95 -34.68 76.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.147 176.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.59 -46.71 6.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.625 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 22.8 t70 -115.99 123.23 31.28 Favored Pre-proline 0 C--O 1.247 0.921 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.15 4.59 3.22 Favored 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.1 t -85.33 -51.41 6.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.401 0.62 . . . . 0.0 109.689 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.625 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -78.45 -5.42 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.705 0.764 . . . . 0.0 111.036 178.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.06 -49.66 68.49 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.417 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.77 -39.33 84.52 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -38.97 56.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.956 0.884 . . . . 0.0 110.602 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.451 HG21 ' HZ3' ' A' ' 88' ' ' LYS . 25.5 t -79.61 -36.3 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.806 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.983 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 4.7 m-85 -59.25 -47.31 85.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.551 0.215 . . . . 0.0 110.693 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -40.46 77.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.237 0.541 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HA ' ' OD1' ' A' ' 98' ' ' ASP . 4.1 ttmp? -68.04 -33.83 75.32 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.16 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -69.86 -22.44 63.26 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.308 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.8 -39.26 21.98 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.61 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -76.62 -29.52 56.52 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.007 0.432 . . . . 0.0 110.829 -176.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -80.81 1.91 28.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.732 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.09 15.84 77.96 Favored Glycine 0 N--CA 1.434 -1.453 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 173.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -64.73 112.93 3.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.392 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 42.46 0.61 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.822 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.3 tp 63.17 -72.13 0.05 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.344 1.058 . . . . 0.0 113.493 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.2 t -69.36 -6.17 28.18 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.648 0.779 . . . . 0.0 112.532 -174.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -84.97 -23.7 28.63 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.5 tp -75.93 -30.41 58.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 m -54.43 -36.81 64.43 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 114.065 -1.425 . . . . 0.0 112.238 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 112' ' ' SER . 13.3 m-20 -84.54 -32.92 23.6 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -176.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.84 -35.11 80.05 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 122.388 1.09 . . . . 0.0 109.02 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.75 28.0 2.85 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.924 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 tptp 73.06 103.58 0.07 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.377 1.471 . . . . 0.0 111.237 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 108' ' ' ASP . 15.4 m -18.28 84.74 0.0 OUTLIER 'General case' 0 C--O 1.242 0.67 0 C-N-CA 127.745 2.418 . . . . 0.0 115.983 -175.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.3 mptt 61.4 13.25 4.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.046 1.338 . . . . 0.0 112.712 172.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 115' ' ' ARG . 11.2 m -89.26 -38.93 13.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 122.272 -0.267 . . . . 0.0 110.835 -175.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 114' ' ' THR . 49.6 mtm180 74.7 -71.66 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.989 0.916 . . . . 0.0 111.228 -177.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.71 -97.89 0.19 Allowed Glycine 0 C--O 1.214 -1.098 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 119' ' ' ASP 0.251 4.4 mmmp? -91.21 -18.68 24.02 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -83.21 25.78 0.69 Allowed 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 117' ' ' LYS . 4.8 p-10 -48.36 -62.52 1.45 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.482 1.513 . . . . 0.0 112.241 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -66.28 -44.24 84.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -66.45 -45.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 126' ' ' MET . 83.3 t80 -79.63 -47.98 14.51 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.002 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -65.88 -32.95 74.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.27 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.87 45.77 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.492 ' HA ' ' CE2' ' A' ' 93' ' ' TYR . 79.5 t80 -54.68 -40.36 69.03 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.135 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 122' ' ' TYR . 86.3 mtp -51.64 -32.15 28.21 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.571 0.749 . . . . 0.0 112.584 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -66.08 -19.61 65.9 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.755 0.822 . . . . 0.0 112.072 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -24.21 65.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.923 -0.486 . . . . 0.0 111.579 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 1.1 tpm_? -68.04 -11.81 59.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.711 -166.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.17 -32.72 22.55 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.27 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.78 -36.39 6.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--O 1.256 1.411 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -177.665 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.449 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -97.34 25.55 0.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.763 2.309 . . . . 0.0 111.601 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.7 159.34 15.38 Favored Glycine 0 N--CA 1.423 -2.18 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.16 97.05 4.01 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m 68.69 32.79 4.04 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.369 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.28 -25.57 64.31 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.728 0.775 . . . . 0.0 109.46 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.45 84.94 7.48 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.357 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -61.58 112.58 2.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.607 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -75.78 6.61 4.75 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.439 -177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.6 p -80.51 -177.91 6.44 Favored 'General case' 0 C--O 1.266 1.97 0 CA-C-O 121.14 0.495 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 75' ' ' VAL . 35.4 mt-10 -82.57 30.58 0.42 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 123.629 0.772 . . . . 0.0 111.116 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -45.88 -27.16 0.81 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.736 1.615 . . . . 0.0 115.013 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.42 -28.25 18.76 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -176.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.17 24.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.73 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 71' ' ' GLU . 76.4 t -55.53 -48.69 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.861 176.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.35 -20.84 66.57 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.112 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 74.6 mmtt -76.49 -44.68 34.29 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.87 -30.41 61.32 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.227 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -62.43 -46.03 90.4 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.744 175.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.0 tmtm? -65.71 -35.28 80.31 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.339 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -44.58 69.69 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.59 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.608 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 68.7 mt -69.35 -23.2 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.963 . . . . 0.0 110.387 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.537 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 7.5 ttt -60.79 -24.59 65.91 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.198 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.38 -54.79 2.53 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 18.1 t70 -106.92 127.22 28.46 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.466 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -96.42 1.34 1.99 Allowed 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.435 2.09 . . . . 0.0 112.898 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -79.33 -49.13 12.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 88' ' ' LYS 0.291 0.1 OUTLIER -81.01 -5.43 57.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.156 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.79 -43.73 2.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.941 1.297 . . . . 0.0 113.997 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.58 -46.61 73.78 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.62 0.575 . . . . 0.0 111.835 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -34.39 49.82 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.18 0.992 . . . . 0.0 112.094 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' HB ' HD11 ' A' ' 82' ' ' ILE . 65.9 t -83.17 -44.38 18.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.426 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -60.65 -46.68 89.41 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 123.37 0.418 . . . . 0.0 110.766 -177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -67.6 -34.79 77.71 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.713 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.688 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 2.9 ttmp? -81.53 -40.0 23.82 Favored 'General case' 0 C--O 1.2 -1.516 0 CA-C-O 122.034 0.921 . . . . 0.0 110.401 -175.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.529 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 2.3 m-90 -66.92 -21.5 65.99 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.214 1.007 . . . . 0.0 109.677 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . . . -76.01 -44.41 39.65 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 113.977 -1.465 . . . . 0.0 109.641 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.688 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -72.86 -36.95 67.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 123.51 0.506 . . . . 0.0 111.034 -177.146 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 13.3 mmmm -74.41 2.81 8.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.314 -177.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.85 -0.57 87.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.001 0.76 . . . . 0.0 115.001 173.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.76 113.4 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.139 0.971 . . . . 0.0 110.478 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -95.76 139.42 32.02 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -42.95 -44.18 4.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.23 1.412 . . . . 0.0 112.985 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 -41.73 99.02 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -82.25 -29.43 31.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.77 0.795 . . . . 0.0 109.069 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.09 -26.43 68.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.104 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.0 m -61.48 -31.26 71.23 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.252 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.419 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 21.3 t70 -80.98 -35.13 32.44 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.195 0.521 . . . . 0.0 110.184 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.95 -30.34 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.611 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.38 -42.34 20.61 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 14.5 tppt? 76.15 24.93 1.09 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.553 1.941 . . . . 0.0 110.519 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -136.94 166.92 22.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -148.9 -51.9 0.16 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 124.068 0.947 . . . . 0.0 110.052 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.7 t -147.38 80.14 1.51 Allowed 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.032 0.92 . . . . 0.0 111.034 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 115' ' ' ARG . 62.3 mtt180 -141.52 -24.02 0.72 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.38 177.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.533 ' H ' ' CG ' ' A' ' 119' ' ' ASP . . . 88.3 26.59 27.75 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.794 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.14 -63.92 1.1 Allowed 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.327 -1.101 . . . . 0.0 112.098 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.424 ' O ' HG12 ' A' ' 121' ' ' VAL . 56.1 m-85 -114.29 6.9 16.29 Favored 'General case' 0 CA--C 1.487 -1.456 0 CA-C-O 122.784 1.278 . . . . 0.0 107.827 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 116' ' ' GLY . 0.9 OUTLIER -60.76 -31.39 70.74 Favored 'General case' 0 C--N 1.269 -2.923 0 CA-C-N 113.483 -1.69 . . . . 0.0 110.079 -177.678 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -61.68 -46.67 88.72 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.361 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG11 ' HB1' ' A' ' 79' ' ' ALA . 12.8 p -78.25 -30.24 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.24 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -58.9 -46.9 86.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.455 0.702 . . . . 0.0 110.643 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.44 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.64 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.2 98.99 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -59.42 -23.95 63.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.907 0.483 . . . . 0.0 112.233 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 87.1 mtp -66.3 -22.76 66.3 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.753 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 73.6 p -81.18 -37.63 28.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -70.4 -34.5 72.61 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.274 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.561 ' HA ' ' O ' ' A' ' 132' ' ' VAL . 3.6 tpm_? -76.25 2.53 13.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.545 -168.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.33 -27.99 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.819 0.819 . . . . 0.0 108.899 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.49 -12.48 15.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.559 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 129' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' ' HG1' ' A' ' 65' ' ' THR . . . . . . . . 0 CA--C 1.495 -1.175 0 N-CA-C 108.496 -1.842 . . . . 0.0 108.496 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.0 94.04 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.117 1.878 . . . . 0.0 110.014 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.53 2.5 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 64' ' ' LEU . 2.5 pt? -93.55 175.9 6.57 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.682 ' HG1' ' N ' ' A' ' 61' ' ' GLY . 82.4 m -135.07 102.97 5.38 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.15 148.01 32.49 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.065 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.41 -26.89 15.68 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -140.9 124.12 16.56 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -161.32 144.22 12.47 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 72' ' ' LYS . 6.4 m 64.93 32.65 10.48 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 122.184 0.993 . . . . 0.0 110.744 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 75' ' ' VAL . 30.3 mt-10 -73.31 25.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.987 1.315 . . . . 0.0 111.727 -178.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' HG22 ' A' ' 75' ' ' VAL . 17.9 ptmt -62.94 -24.43 67.87 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.324 1.05 . . . . 0.0 112.812 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.14 68.41 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.25 0.548 . . . . 0.0 110.235 174.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -36.89 58.08 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.481 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.696 ' HB ' ' CH2' ' A' ' 96' ' ' TRP . 6.0 m -61.05 -36.28 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.82 -33.13 75.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 120.788 0.328 . . . . 0.0 110.722 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -25.34 64.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.6 mmt -83.63 -47.2 11.51 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.68 -43.13 76.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.123 -1.398 . . . . 0.0 111.674 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.657 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -59.9 -45.11 93.56 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.744 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.61 64.82 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.4 tt -76.33 -23.2 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 122.46 1.124 . . . . 0.0 109.615 175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 18.8 ttm -66.73 -30.56 70.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.368 171.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.64 -58.51 3.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.539 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 27.0 t70 -117.83 118.64 34.63 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-O 120.879 0.371 . . . . 0.0 111.476 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 65.7 Cg_endo -96.8 14.93 0.83 Allowed 'Trans proline' 0 N--CA 1.437 -1.8 0 C-N-CA 122.679 2.252 . . . . 0.0 112.181 177.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -90.55 -38.91 12.87 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 121.804 0.812 . . . . 0.0 109.09 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.83 -3.57 59.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.29 176.143 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 86' ' ' PRO . . . -40.89 -43.02 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.836 1.654 . . . . 0.0 115.119 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.81 -55.54 4.42 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.594 1.158 . . . . 0.0 113.561 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 3.0 p30 -66.2 -25.65 67.03 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.07 -36.5 21.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -61.15 -46.67 89.57 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -23.34 60.15 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 7.3 tmtm? -83.26 -21.0 33.45 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.964 0.888 . . . . 0.0 109.422 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.696 ' CH2' ' HB ' ' A' ' 75' ' ' VAL . 15.0 t-105 -83.9 -35.47 24.06 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.23 86.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 108.941 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -52.94 -37.93 61.43 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 125.629 1.572 . . . . 0.0 110.863 172.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -78.96 -10.82 59.94 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.326 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.53 21.09 79.83 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 116.223 -0.444 . . . . 0.0 113.083 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.34 137.19 38.61 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.703 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.7 p -99.92 149.36 23.5 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.932 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.03 -33.22 62.47 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.837 0.855 . . . . 0.0 112.659 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.2 t -68.52 -28.41 66.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.836 0.351 . . . . 0.0 111.366 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -85.21 -21.1 29.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.529 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -54.4 -37.02 64.57 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.731 0.813 . . . . 0.0 111.536 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.0 t -67.91 -24.95 65.27 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.774 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 27.3 t70 -83.39 -32.17 26.3 Favored 'General case' 0 C--O 1.245 0.832 0 O-C-N 121.771 -0.581 . . . . 0.0 110.284 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.449 ' HB3' HG21 ' A' ' 75' ' ' VAL . 24.0 m-85 -70.86 -48.83 51.75 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.057 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.66 -41.38 13.43 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.342 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 74.6 mmtt 71.77 69.08 0.15 Allowed 'General case' 0 C--O 1.249 1.039 0 CA-C-O 122.297 1.046 . . . . 0.0 111.816 -174.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 p -170.98 158.52 5.72 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.695 -1.593 . . . . 0.0 107.522 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -144.74 -52.97 0.3 Allowed 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -75.89 32.16 0.11 Allowed 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.463 1.105 . . . . 0.0 111.537 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.532 ' HB3' ' OD1' ' A' ' 119' ' ' ASP . 18.8 mtp180 58.66 -147.25 0.5 Allowed 'General case' 0 C--O 1.252 1.217 0 C-N-CA 123.411 0.684 . . . . 0.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 82.4 -81.09 1.73 Allowed Glycine 0 C--O 1.217 -0.953 0 C-N-CA 121.344 -0.455 . . . . 0.0 113.112 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.83 -57.62 11.67 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.575 1.178 . . . . 0.0 110.931 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -115.14 28.18 8.88 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.351 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.532 ' OD1' ' HB3' ' A' ' 115' ' ' ARG . 23.7 t70 -35.83 -63.06 0.39 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.747 1.619 . . . . 0.0 113.986 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.32 -39.67 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.5 p -84.03 -36.98 12.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -63.94 -52.53 59.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.997 0.427 . . . . 0.0 110.353 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -34.4 77.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.83 -46.02 94.14 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.503 -0.38 . . . . 0.0 112.289 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -70.56 -23.22 62.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.427 -0.455 . . . . 0.0 112.2 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.9 ttp -66.15 -41.9 89.79 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.755 ' HA ' ' OD2' ' A' ' 130' ' ' ASP . 60.9 m -64.23 -19.84 65.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -74.29 -24.04 59.19 Favored 'General case' 0 C--O 1.191 -1.98 0 C-N-CA 116.611 -2.036 . . . . 0.0 109.716 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -82.06 -6.79 59.43 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.346 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.755 ' OD2' ' HA ' ' A' ' 127' ' ' THR . 26.6 m-20 -83.44 -13.18 55.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.113 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -127.65 -30.85 2.51 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.408 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 49.4 t . . . . . 0 C--N 1.313 -1.015 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.316 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.76 125.72 10.2 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.343 2.029 . . . . 0.0 110.852 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.47 65.14 0.55 Allowed Glycine 0 C--N 1.306 -1.123 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -154.27 177.36 11.21 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.786 0.327 . . . . 0.0 110.606 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -143.27 154.82 44.19 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' OD1' ' HG3' ' A' ' 69' ' ' LYS . 20.2 t70 -77.58 71.72 4.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 122.956 1.36 . . . . 0.0 111.195 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -135.92 -53.13 0.75 Allowed 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -83.11 67.95 9.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HG3' ' OD1' ' A' ' 66' ' ' ASP . 13.0 mmmm -145.21 107.94 4.48 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.943 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -81.48 -5.46 57.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 75' ' ' VAL . 48.5 mt-10 -55.98 -43.22 77.38 Favored 'General case' 0 C--O 1.199 -1.572 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.501 -177.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.72 -36.98 70.32 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -23.3 61.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.236 0.541 . . . . 0.0 110.757 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.58 -36.83 20.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.791 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 71' ' ' GLU . 75.0 t -54.77 -42.54 62.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 C-N-CA 123.988 0.915 . . . . 0.0 111.312 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.78 -24.6 67.82 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 62.1 mttp -80.78 -32.12 35.53 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mmt -74.03 -31.06 62.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.379 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -65.99 -41.65 90.8 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.487 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -65.09 -36.18 83.47 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HA ' ' OD1' ' A' ' 85' ' ' ASP . . . -66.89 -45.43 78.03 Favored 'General case' 0 C--O 1.171 -3.03 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.52 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.587 HD12 HG23 ' A' ' 121' ' ' VAL . 71.5 mt -65.38 -34.65 71.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.127 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.5 ttp -71.55 -30.1 65.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.635 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -103.07 -60.56 1.53 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.382 0.611 . . . . 0.0 111.104 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.481 ' OD1' ' HA ' ' A' ' 81' ' ' ALA . 1.3 m-20 -86.66 99.06 0.96 Allowed Pre-proline 0 C--N 1.288 -2.074 0 C-N-CA 125.73 1.612 . . . . 0.0 109.058 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 68.1 Cg_endo -76.34 -16.24 17.45 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 121.561 1.508 . . . . 0.0 113.22 -172.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -87.64 -12.1 46.53 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-O 120.773 0.321 . . . . 0.0 110.137 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 88' ' ' LYS . 9.0 tmtm? -89.19 -7.9 54.67 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.642 0.734 . . . . 0.0 110.069 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -60.46 -41.38 94.01 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -173.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -57.55 -52.94 63.35 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.331 0.653 . . . . 0.0 111.283 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.06 -50.42 15.2 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 125.243 1.417 . . . . 0.0 112.713 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' A' ' 82' ' ' ILE . 21.5 t -74.01 -29.58 25.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.433 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.7 -35.51 80.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.023 0.439 . . . . 0.0 110.497 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.37 -33.98 31.99 Favored 'General case' 0 CA--C 1.475 -1.911 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.607 177.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.659 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 4.4 tmtt? -65.29 -31.29 72.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 101' ' ' TYR 0.258 42.6 m0 -77.52 -40.57 42.29 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.549 -1.26 . . . . 0.0 112.295 -178.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.61 78.2 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -46.64 -42.39 16.22 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 125.249 1.42 . . . . 0.0 113.223 174.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.535 ' HG2' ' OD2' ' A' ' 98' ' ' ASP . 46.5 mmtm -105.51 0.58 26.8 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.882 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.76 35.39 89.8 Favored Glycine 0 N--CA 1.433 -1.564 0 O-C-N 124.05 0.844 . . . . 0.0 112.898 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 99' ' ' LYS . 84.0 m-85 -55.53 113.36 1.41 Allowed 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 m -79.82 137.79 37.05 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.288 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.6 tp -68.07 79.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.667 0.746 . . . . 0.0 111.595 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t 174.45 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 126.868 2.067 . . . . 0.0 106.06 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -76.86 -33.28 57.88 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.2 tp -52.54 -29.07 23.43 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.429 -1.259 . . . . 0.0 111.091 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t -59.56 -35.68 74.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -84.2 -27.95 27.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.047 -1.061 . . . . 0.0 111.66 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.98 -41.85 99.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.899 0.38 . . . . 0.0 110.757 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.71 -23.65 29.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.742 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 74.62 36.36 0.61 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.239 1.416 . . . . 0.0 110.005 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 m -86.28 71.78 10.45 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.092 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -134.68 79.27 1.79 Allowed 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 116' ' ' GLY . 9.0 t 176.97 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -174.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -38.08 72.46 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 118.65 0.659 . . . . 0.0 110.811 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.436 ' H ' HG23 ' A' ' 114' ' ' THR . . . 93.34 81.89 1.51 Allowed Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.996 174.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 14.2 tptp -80.35 -18.57 48.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.309 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -75.78 25.89 0.11 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 121.58 -0.7 . . . . 0.0 112.127 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -44.99 -64.34 0.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.859 1.664 . . . . 0.0 113.264 178.797 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.75 -39.96 78.59 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.587 HG23 HD12 ' A' ' 82' ' ' ILE . 3.3 p -78.26 -47.8 23.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.285 -0.566 . . . . 0.0 112.101 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.466 ' O ' ' HG3' ' A' ' 126' ' ' MET . 68.8 t80 -71.6 -55.23 8.17 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.657 -174.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.476 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 15.2 m120 -63.01 -32.22 73.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.004 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.95 -30.61 65.42 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.673 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -81.55 -23.18 37.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 122.663 -0.316 . . . . 0.0 111.261 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 87.9 mtp -50.79 -33.12 22.13 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.241 0.617 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -54.3 -22.06 10.94 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.777 1.631 . . . . 0.0 113.031 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -33.26 73.01 Favored 'General case' 0 C--O 1.193 -1.895 0 CA-C-O 121.231 0.539 . . . . 0.0 111.484 -176.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -60.83 -34.15 74.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 124.263 1.025 . . . . 0.0 113.053 -166.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.93 9.77 28.61 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.067 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -136.89 -37.41 0.66 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.472 1.109 . . . . 0.0 110.058 -177.246 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.117 0 N-CA-C 107.519 -2.233 . . . . 0.0 107.519 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.56 81.88 2.01 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 CA-C-N 119.649 1.724 . . . . 0.0 108.444 171.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 -176.45 37.31 Favored Glycine 0 C--O 1.273 2.539 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -174.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -163.04 147.01 11.1 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -85.52 -36.24 20.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.0 0.429 . . . . 0.0 111.008 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.678 ' OD2' ' HA ' ' A' ' 69' ' ' LYS . 47.8 t0 -137.79 152.23 48.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.81 70.77 9.86 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 56.62 33.61 23.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.85 0.86 . . . . 0.0 109.896 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.678 ' HA ' ' OD2' ' A' ' 66' ' ' ASP 0.285 3.8 mmmp? 76.29 102.15 0.07 Allowed 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 125.772 1.629 . . . . 0.0 113.572 -175.72 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -63.64 125.17 23.39 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.419 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.16 -50.86 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 103.078 -2.934 . . . . 0.0 103.078 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 75' ' ' VAL . 1.7 pttm -47.98 -27.04 2.0 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 113.281 -1.781 . . . . 0.0 115.559 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.39 -32.33 48.76 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.566 -0.708 . . . . 0.0 111.31 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.94 -40.32 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.027 0.531 . . . . 0.0 111.178 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 109' ' ' PHE . 8.6 p -58.28 -27.72 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 121.413 0.625 . . . . 0.0 110.201 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 118' ' ' TYR . 53.3 mtmt -71.31 -17.86 62.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -38.68 88.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.0 mmm -78.68 -29.53 45.62 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.23 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -65.9 -44.65 84.63 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.002 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.4 -35.69 72.42 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 121.561 0.696 . . . . 0.0 110.294 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.94 -24.21 62.4 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.648 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 92' ' ' VAL . 72.5 mt -86.33 -42.22 15.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.791 -0.568 . . . . 0.0 109.635 173.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.629 ' SD ' ' HB2' ' A' ' 120' ' ' ARG . 10.0 tpt -51.59 -46.44 63.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.585 1.154 . . . . 0.0 111.679 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.36 -33.39 9.59 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 4.2 p-10 -131.74 70.3 81.15 Favored Pre-proline 0 C--O 1.253 1.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.047 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.17 11.7 1.16 Allowed 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 124.445 3.43 . . . . 0.0 115.415 -168.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -65.45 -27.13 68.29 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.287 0.565 . . . . 0.0 110.521 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 9.3 ptpp? -88.42 -7.36 56.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.811 -178.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.08 60.17 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -165.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.7 -56.56 17.93 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.48 -48.15 66.09 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.414 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.445 ' CG1' HD11 ' A' ' 82' ' ' ILE . 11.8 t -69.97 -33.11 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.607 -171.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -69.27 -50.99 41.9 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 121.277 0.56 . . . . 0.0 109.806 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -64.0 -43.57 95.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.821 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 tmmm? -77.49 -17.51 57.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -82.33 -33.7 28.84 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.751 -0.593 . . . . 0.0 109.492 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.85 88.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.071 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.606 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.8 p-10 -80.96 -8.82 59.85 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.383 0.611 . . . . 0.0 109.937 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.681 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -83.81 -14.52 51.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.38 22.68 28.68 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.391 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -88.12 113.43 23.74 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.507 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.479 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 17.1 m -90.09 145.5 25.02 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 44.8 tp -42.72 -45.19 4.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.778 1.231 . . . . 0.0 112.56 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -67.02 -26.72 66.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.013 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -84.2 -34.78 23.86 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.13 -18.28 63.25 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.267 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.0 m -66.92 -25.63 66.46 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.699 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.76 -41.29 30.98 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.538 ' HB3' HG11 ' A' ' 75' ' ' VAL . 88.1 m-85 -65.95 -49.09 69.13 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.304 -178.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.25 22.64 0.98 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 123.444 0.698 . . . . 0.0 112.602 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -59.2 120.31 8.98 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.6 p -132.89 -153.63 0.56 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.135 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -119.94 -176.43 3.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m 73.31 -48.29 0.68 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.54 1.136 . . . . 0.0 111.847 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 162.91 -22.46 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.118 2.167 . . . . 0.0 108.331 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.02 105.66 0.24 Allowed Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -91.31 -19.83 22.53 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.043 -179.065 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CE2' ' HD2' ' A' ' 76' ' ' LYS . 94.5 m-85 -80.43 27.53 0.34 Allowed 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 124.507 1.123 . . . . 0.0 110.942 177.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -49.73 -42.2 45.59 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 124.352 1.061 . . . . 0.0 112.744 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.629 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.6 mmp_? -65.49 -48.77 71.47 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG11 ' HB1' ' A' ' 79' ' ' ALA . 7.1 p -70.72 -37.37 68.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.534 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.422 ' O ' ' HG3' ' A' ' 126' ' ' MET . 66.1 t80 -70.79 -54.68 10.75 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.906 0.384 . . . . 0.0 110.215 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.49 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 2.8 t-20 -58.17 -37.5 74.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.591 0.756 . . . . 0.0 110.989 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.65 -45.01 79.71 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.636 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -59.18 -26.21 64.6 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.634 0.774 . . . . 0.0 110.999 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 88.5 mtp -56.26 -22.77 31.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.914 0.886 . . . . 0.0 112.373 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.4 p -64.53 -25.66 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.1 OUTLIER -74.11 -13.87 60.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.126 0.489 . . . . 0.0 110.795 -177.388 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.543 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 32.2 ttt85 -79.94 13.59 2.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.532 1.158 . . . . 0.0 111.779 -173.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.0 -28.82 57.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 168.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -109.8 -36.09 6.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.238 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.543 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 7.0 p . . . . . 0 C--O 1.248 1.011 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.035 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.04 -57.95 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 123.182 2.588 . . . . 0.0 112.732 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.3 53.42 4.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.633 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.9 mt 63.72 -80.43 0.03 OUTLIER 'General case' 0 C--O 1.24 0.57 0 C-N-CA 125.303 1.441 . . . . 0.0 112.992 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.5 p -72.08 -72.08 0.25 Allowed 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.64 0.734 . . . . 0.0 111.918 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 67' ' ' LEU . 6.0 p-10 -106.05 -101.46 0.34 Allowed 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.316 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 50.8 tp -123.25 -46.57 2.05 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.0 p90 178.65 119.18 0.04 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 126.143 1.777 . . . . 0.0 108.479 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -45.64 120.14 2.47 Favored 'General case' 0 C--O 1.266 1.958 0 CA-C-O 122.25 1.024 . . . . 0.0 112.11 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.457 HG23 ' HG2' ' A' ' 72' ' ' LYS . 61.4 m -126.49 72.92 1.35 Allowed 'General case' 0 N--CA 1.42 -1.956 0 CA-C-O 122.622 1.201 . . . . 0.0 113.118 -174.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -89.33 -13.97 36.73 Favored 'General case' 0 C--O 1.205 -1.254 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HG2' HG23 ' A' ' 70' ' ' THR . 9.6 ptpp? -51.45 -35.49 39.83 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.515 1.126 . . . . 0.0 112.843 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.25 -20.78 20.8 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.091 0.472 . . . . 0.0 112.012 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.22 11.68 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.21 -30.62 35.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.76 0 C-N-CA 123.526 0.731 . . . . 0.0 112.698 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -66.99 -26.24 66.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.342 0.591 . . . . 0.0 111.728 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.35 -34.97 36.15 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.9 mtt -68.21 -37.27 80.7 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.306 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -54.49 -46.53 73.45 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.177 0.991 . . . . 0.0 111.585 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.669 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -72.3 -28.54 63.16 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.596 178.109 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -67.65 -23.25 65.31 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 121' ' ' VAL . 1.8 mp -86.5 -57.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.669 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 25.6 ptt? -67.04 -27.44 67.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -170.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.49 20.53 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.995 0.426 . . . . 0.0 110.682 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.663 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -136.94 67.5 56.7 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.614 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.99 -22.02 52.97 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 123.354 2.702 . . . . 0.0 115.536 -170.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 p -74.26 -27.15 60.62 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -87.79 -7.58 57.11 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.928 0.871 . . . . 0.0 110.859 -177.101 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HA ' HG13 ' A' ' 82' ' ' ILE . . . -60.13 -42.66 95.31 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -167.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.2 -41.11 90.62 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.328 0.513 . . . . 0.0 111.857 -173.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.23 -35.48 71.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.516 0.674 . . . . 0.0 110.282 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.52 -30.12 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.904 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.08 -44.69 96.13 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -22.94 61.43 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.487 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.1 tmtm? -77.64 -34.15 53.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.438 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.4 m0 -73.65 -36.26 65.37 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.91 85.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -52.59 -31.97 38.93 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.429 0.692 . . . . 0.0 111.813 172.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HZ2' ' CG ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -102.47 3.27 37.45 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.535 -0.728 . . . . 0.0 111.506 -178.467 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.94 75.81 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.275 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -74.33 131.64 41.33 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.85 0.833 . . . . 0.0 111.996 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.548 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 9.4 t -112.28 172.3 6.99 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.646 ' H ' HD22 ' A' ' 103' ' ' LEU . 1.6 mm? -53.99 -57.03 12.55 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.792 0.837 . . . . 0.0 111.284 -173.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 104' ' ' THR . 1.4 t -58.92 -31.0 68.24 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.03 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.87 -36.16 21.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.016 0.436 . . . . 0.0 110.877 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.18 -34.56 78.3 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -58.42 -35.24 71.77 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 16.2 t70 -77.46 -27.4 52.07 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.246 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -70.45 -20.63 62.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.119 0.485 . . . . 0.0 110.167 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.38 -50.14 6.51 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 108' ' ' ASP . 20.9 ttmm 49.35 70.34 0.49 Allowed 'General case' 0 C--O 1.257 1.477 0 C-N-CA 125.502 1.521 . . . . 0.0 111.833 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.5 m -91.68 152.91 20.01 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.544 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -122.02 150.7 41.73 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.9 m 75.79 -49.27 0.61 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.228 1.411 . . . . 0.0 111.005 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -169.95 164.3 9.56 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.28 132.49 52.09 Favored Glycine 0 N--CA 1.432 -1.595 0 O-C-N 123.867 0.729 . . . . 0.0 111.446 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -93.6 -21.91 19.12 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -115.67 26.38 10.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.975 -1.92 . . . . 0.0 108.109 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -54.2 -41.92 69.15 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.116 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.415 ' H ' ' HG3' ' A' ' 120' ' ' ARG . 51.8 mtt85 -49.98 -53.48 26.22 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.88 1.272 . . . . 0.0 111.241 176.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.457 HG11 ' HB1' ' A' ' 79' ' ' ALA . 8.1 p -71.97 -32.42 44.03 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.83 -49.3 68.7 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.7 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.56 -46.81 87.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.309 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.22 -29.47 75.37 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.71 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.498 ' O ' ' HD1' ' A' ' 128' ' ' TYR . 24.9 t80 -72.34 -31.54 65.73 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.641 -0.329 . . . . 0.0 110.354 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.512 ' HA ' HD11 ' A' ' 103' ' ' LEU . 87.9 mtp -54.3 -30.23 50.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.155 0.582 . . . . 0.0 112.311 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -63.38 -18.73 63.99 Favored 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 123.892 0.877 . . . . 0.0 111.76 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.548 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -72.52 -12.87 61.26 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.849 -1.157 . . . . 0.0 110.838 -179.173 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.7 mmm180 -64.46 -21.34 66.63 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.23 6.85 31.12 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.511 0.672 . . . . 0.0 110.129 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -105.39 -38.66 6.41 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.156 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 177.073 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.412 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -55.35 -31.78 62.01 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.416 172.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 77' ' ' LYS . . . -79.1 -20.03 49.72 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.302 -0.249 . . . . 0.0 110.777 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.02 17.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.471 HG13 ' HZ2' ' A' ' 96' ' ' TRP . 51.1 t -56.82 -44.11 81.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.45 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HG2' HD23 ' A' ' 110' ' ' LEU . 67.6 mttm -59.61 -25.31 64.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 48.5 mmtm -75.6 -42.79 50.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.3 mtt -62.34 -48.3 80.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -55.01 -52.89 61.74 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.608 -177.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -65.94 -22.38 66.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.82 -41.52 17.44 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.891 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.502 HD12 ' HE2' ' A' ' 88' ' ' LYS . 1.7 mp -65.77 -37.71 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 80' ' ' LYS . 25.4 ptm -69.84 -13.54 62.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -95.95 -61.8 1.39 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.16 132.42 23.27 Favored Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.326 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -94.67 10.05 1.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.755 2.304 . . . . 0.0 111.86 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -77.7 -51.99 9.69 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.328 0.585 . . . . 0.0 110.125 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HE2' HD12 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -87.24 -7.08 58.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.482 0.658 . . . . 0.0 110.544 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.87 -44.7 74.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.612 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 38.4 t70 -65.19 -35.01 79.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -175.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 18.8 t70 -60.26 -38.36 83.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.728 176.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.6 t -75.53 -28.16 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.612 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 22.1 m-30 -63.54 -45.48 90.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.652 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -67.73 -36.87 81.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.661 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 91' ' ' ASP . 42.7 mmtm -56.39 -31.64 64.05 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 123.645 0.591 . . . . 0.0 111.521 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.52 ' CH2' HD13 ' A' ' 106' ' ' LEU . 4.6 m95 -68.54 -37.46 79.99 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.64 -32.78 41.68 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 121.637 0.732 . . . . 0.0 109.029 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -22.92 62.9 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.077 1.351 . . . . 0.0 111.948 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -106.04 4.66 29.52 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.95 -6.24 81.84 Favored Glycine 0 C--N 1.311 -0.832 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.833 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.422 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 85.4 m-85 -61.1 134.65 57.27 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.989 0.395 . . . . 0.0 110.176 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.5 m -127.43 89.44 2.96 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.9 tp 31.8 -79.68 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.127 2.571 . . . . 0.0 116.905 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -59.16 -22.44 60.94 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.427 0.691 . . . . 0.0 111.652 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.443 ' HG2' ' CE2' ' A' ' 109' ' ' PHE . 62.0 tt0 -62.18 -23.34 66.55 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.505 1.122 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.52 HD13 ' CH2' ' A' ' 96' ' ' TRP . 64.4 tp -62.56 -22.9 66.69 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.38 0.672 . . . . 0.0 110.646 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -65.44 -28.02 68.94 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.453 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.59 -36.3 24.03 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.263 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.443 ' CE2' ' HG2' ' A' ' 105' ' ' GLN . 21.3 m-85 -69.38 -44.62 71.13 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.889 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 118' ' ' TYR . 70.3 mt -99.52 -22.49 15.46 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 mptt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 122.374 1.083 . . . . 0.0 110.102 -172.124 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.606 ' HB3' HD13 ' A' ' 110' ' ' LEU . 36.9 m-85 . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -53.44 -63.18 1.23 Allowed 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.024 0.929 . . . . 0.0 113.282 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -55.02 -41.32 71.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.959 0.903 . . . . 0.0 112.268 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -74.67 -38.32 44.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.807 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -62.73 -48.36 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -40.68 94.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.684 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.17 -42.71 97.29 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.961 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -71.86 -22.93 61.45 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.41 -39.97 85.15 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.749 -0.595 . . . . 0.0 109.625 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.504 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 11.3 m -68.01 -18.53 64.74 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 114.526 -1.215 . . . . 0.0 113.331 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CB ' ' HB3' ' A' ' 93' ' ' TYR . 2.9 p90 -69.27 -25.69 64.39 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 117.77 -1.572 . . . . 0.0 111.151 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.558 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -76.45 -9.44 58.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 9.7 m-20 -83.78 -15.41 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -109.76 -37.63 5.6 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.558 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 5.2 m . . . . . 0 C--N 1.325 -0.481 0 C-N-CA 123.73 0.812 . . . . 0.0 110.417 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 75' ' ' VAL 0.347 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -68.42 -27.09 65.89 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.713 174.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.724 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -74.33 -34.62 63.48 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.53 85.91 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 120.998 0.427 . . . . 0.0 109.859 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 71' ' ' GLU . 55.6 t -60.93 -43.52 96.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.503 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 57.1 mtpt -70.98 -22.39 62.19 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 64.0 mttp -61.81 -46.52 89.14 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.4 mtp -76.01 -37.58 58.27 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.251 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . . . -60.08 -45.64 92.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.073 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -33.85 72.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.558 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.62 -27.3 62.07 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.357 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.409 HD11 HG11 ' A' ' 92' ' ' VAL . 74.0 mt -76.62 -35.33 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.583 0.706 . . . . 0.0 109.442 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.44 -32.67 73.57 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.766 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.12 -37.1 16.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.489 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.563 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 1.6 t70 -136.19 116.02 11.11 Favored Pre-proline 0 N--CA 1.441 -0.883 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.484 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -91.12 3.66 4.38 Favored 'Trans proline' 0 N--CA 1.444 -1.433 0 C-N-CA 122.753 2.302 . . . . 0.0 113.677 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -69.24 -47.66 64.1 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.017 0.437 . . . . 0.0 111.019 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.66 -3.57 59.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.492 0.663 . . . . 0.0 111.926 -177.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.71 -47.88 15.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.726 -1.124 . . . . 0.0 113.353 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.68 -40.91 92.86 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.564 0.221 . . . . 0.0 111.458 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.58 -41.03 69.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.453 0.701 . . . . 0.0 109.478 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 82' ' ' ILE . 53.1 t -75.31 -34.71 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.856 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HD1' ' A' ' 125' ' ' TYR . 18.6 m-30 -63.71 -44.85 92.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -40.6 94.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.727 176.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.2 tmtm? -69.6 -34.09 73.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.921 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.429 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.8 m0 -72.3 -31.39 65.66 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 122.152 -0.342 . . . . 0.0 111.352 176.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.81 83.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.47 ' CG ' ' HZ3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -57.34 -25.11 58.89 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.524 1.13 . . . . 0.0 111.514 173.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HZ3' ' CG ' ' A' ' 98' ' ' ASP . 12.8 mmtm -105.72 3.07 28.55 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.68 16.11 80.85 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.286 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 96' ' ' TRP . 66.4 m-85 -64.81 131.0 45.58 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.062 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.527 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 20.8 p -114.39 143.82 44.29 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.162 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -47.83 -40.91 22.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.265 1.026 . . . . 0.0 112.264 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -63.94 -37.4 87.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.983 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -84.75 -32.46 23.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 3.2 tm? -58.18 -35.44 71.6 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.023 0.929 . . . . 0.0 109.326 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.9 m -57.87 -35.8 71.47 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.26 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.74 -36.73 23.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 61.6 m-85 -58.08 -49.18 77.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.539 0.685 . . . . 0.0 110.687 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.37 -34.21 36.64 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.683 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -176.737 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -45.27 -48.11 12.91 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 126.312 1.845 . . . . 0.0 110.545 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -59.81 -56.41 22.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.942 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.14 -36.63 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.969 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -71.84 -53.51 13.04 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -36.39 80.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.26 76.62 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.435 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.501 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 50.2 t80 -59.2 -35.59 73.85 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.369 0.668 . . . . 0.0 112.158 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -49.31 -36.47 21.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.36 0.664 . . . . 0.0 112.051 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -58.81 -19.65 43.09 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.237 1.015 . . . . 0.0 112.025 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.7 OUTLIER -69.87 -13.58 62.33 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.737 -0.602 . . . . 0.0 110.481 -178.499 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmm180 -65.29 -23.64 67.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.43 20.37 19.01 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.978 0.894 . . . . 0.0 108.657 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -122.89 -39.03 2.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.614 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 63.0 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.264 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' OE2' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 111.589 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HG2' ' OE2' ' A' ' 71' ' ' GLU . 2.0 ptpp? -59.81 -36.12 76.12 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.162 0.506 . . . . 0.0 111.252 174.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.34 -18.9 61.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.913 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.11 -53.33 5.34 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.49 -36.78 66.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.996 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 66.7 mttm -56.0 -31.01 62.68 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -41.17 79.35 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.3 -42.62 75.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.57 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -60.19 -52.13 66.61 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.656 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -21.28 64.85 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 120.88 0.371 . . . . 0.0 111.88 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.19 65.18 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.925 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.29 -35.58 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.703 0.763 . . . . 0.0 109.407 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.21 -29.2 63.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.468 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.46 -54.85 3.11 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.527 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.7 t70 -110.73 126.8 28.06 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.922 -175.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -93.1 -7.83 2.48 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 122.581 2.187 . . . . 0.0 113.465 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -66.48 -42.9 86.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 121.153 0.501 . . . . 0.0 111.99 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -87.68 -4.91 58.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.23 -50.26 39.3 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.08 -46.72 45.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.565 0.746 . . . . 0.0 112.147 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 2.7 t70 -62.17 -42.81 99.63 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.626 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.17 -35.87 65.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.733 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.76 -52.87 62.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.27 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 5.1 pp0? -66.75 -31.87 72.79 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.179 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 3.3 ttmp? -72.74 -43.11 63.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.926 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -61.93 -35.45 78.46 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.652 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.93 82.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.392 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.54 -30.02 61.59 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.238 0.542 . . . . 0.0 110.553 -178.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -82.99 0.04 46.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.717 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.47 14.45 78.37 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.914 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.01 114.09 17.67 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.396 1.093 . . . . 0.0 110.952 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.524 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.6 p -94.18 156.24 16.65 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.83 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.9 tp -48.94 -41.73 34.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.803 0.841 . . . . 0.0 111.675 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.7 t -66.19 -31.77 72.8 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.794 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.39 -38.15 42.38 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.66 -31.64 69.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.557 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.7 m -59.15 -33.85 71.39 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.576 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.462 ' HA ' ' HZ2' ' A' ' 111' ' ' LYS . 30.6 t70 -70.72 -45.82 64.19 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.783 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.21 -34.67 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.284 0.99 . . . . 0.0 110.844 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.65 -42.13 18.56 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.755 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' A' ' 111' ' ' LYS . 3.3 ttpm? . . . . . 0 N--CA 1.484 1.244 0 C-N-CA 124.062 0.945 . . . . 0.0 111.872 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -50.24 -63.13 1.21 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.16 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.57 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -85.14 -48.26 16.48 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.243 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.265 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -79.84 -54.65 5.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -64.56 -36.69 85.02 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 123.658 0.783 . . . . 0.0 109.935 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.79 -38.95 86.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.983 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.41 -26.81 64.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 122.672 -0.311 . . . . 0.0 111.002 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 48.6 ttm -51.77 -36.45 47.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.82 0.848 . . . . 0.0 112.059 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.6 m -60.16 -18.07 45.28 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 124.244 1.018 . . . . 0.0 112.826 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.524 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -67.32 -16.7 64.41 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 120.713 -1.242 . . . . 0.0 110.613 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -75.41 -12.33 60.23 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.279 0.631 . . . . 0.0 112.042 -178.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.02 -6.96 58.95 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -118.92 -36.34 3.45 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.65 -178.708 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.7 tp10 . . . . . 0 C--O 1.189 -2.086 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 13.7 ptpt -55.31 -33.36 63.23 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.42 -23.19 53.98 Favored 'General case' 0 C--O 1.263 1.787 0 CA-C-O 121.583 0.706 . . . . 0.0 110.518 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -34.41 22.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.782 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 71' ' ' GLU . 89.5 t -54.98 -55.49 15.77 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.588 0 O-C-N 123.753 0.658 . . . . 0.0 110.033 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.44 -27.98 67.93 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -44.62 56.31 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -79.9 -25.84 40.43 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.181 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.295 0.638 . . . . 0.0 109.949 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -37.32 85.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.591 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.16 68.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.468 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.22 -38.81 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-O 120.966 0.412 . . . . 0.0 111.225 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.0 ttp -65.47 -25.42 67.49 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 111.666 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.21 -38.83 16.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.511 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -149.28 122.29 4.45 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.259 0.623 . . . . 0.0 110.729 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.23 12.17 2.36 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.769 2.313 . . . . 0.0 114.009 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -69.44 -32.84 72.04 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.721 -0.612 . . . . 0.0 111.685 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -88.38 -7.05 57.29 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 121.865 -0.522 . . . . 0.0 111.342 178.612 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.54 ' HB1' ' CZ ' ' A' ' 93' ' ' TYR . . . -47.73 -59.51 3.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -46.97 -49.75 20.18 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.04 -35.3 71.92 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.782 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 57.9 t -67.07 -33.63 64.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.54 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 17.1 m-30 -67.9 -42.25 81.44 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -45.7 86.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.745 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.99 -17.57 63.29 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.851 -179.313 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.414 ' NE1' HG22 ' A' ' 75' ' ' VAL . 12.3 m0 -81.59 -27.52 34.23 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.493 0.187 . . . . 0.0 111.054 174.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.64 92.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.7 -33.19 66.21 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.8 1.24 . . . . 0.0 111.276 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 44.9 mmtm -82.25 -3.63 55.55 Favored 'General case' 0 C--O 1.255 1.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.935 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.34 35.94 18.89 Favored Glycine 0 N--CA 1.432 -1.606 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.913 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -104.76 117.05 33.11 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.612 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.54 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.7 m -109.31 89.41 2.99 Favored 'General case' 0 N--CA 1.424 -1.754 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.695 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.6 tp 57.13 -78.23 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -63.39 -24.92 68.05 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 124.573 1.149 . . . . 0.0 113.243 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -63.22 -21.23 66.09 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.674 0.789 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 125' ' ' TYR . 18.0 tp -64.12 -18.59 64.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.974 0.416 . . . . 0.0 110.573 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.2 m -63.14 -33.25 75.06 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.141 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.32 -39.32 33.1 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.464 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 16.8 m-85 -67.08 -46.5 74.07 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.168 -177.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 118' ' ' TYR . 7.0 mp -81.68 -32.75 31.62 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.025 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 108.279 -179.506 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.405 ' HB3' HD23 ' A' ' 110' ' ' LEU . 99.3 m-85 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 120.697 0.284 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -36.99 -63.5 0.42 Allowed 'General case' 0 C--O 1.247 0.931 0 C-N-CA 126.63 1.972 . . . . 0.0 114.439 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -65.09 -41.2 95.21 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -75.28 -36.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.032 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -65.81 -57.83 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.085 0.469 . . . . 0.0 110.694 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.92 -23.46 61.47 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.872 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.33 -33.93 68.7 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.536 ' CD2' HD22 ' A' ' 106' ' ' LEU . 57.4 t80 -63.92 -32.15 73.58 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.632 0.773 . . . . 0.0 110.832 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -48.98 -39.06 25.09 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 0.0 112.412 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -55.19 -20.17 9.82 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.966 1.307 . . . . 0.0 113.151 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.54 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 1.1 p90 -74.5 -14.07 60.77 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.185 -0.947 . . . . 0.0 110.503 -177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -64.59 -20.21 66.12 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.77 2.85 56.53 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 123.616 0.573 . . . . 0.0 111.472 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 128' ' ' TYR . 26.6 m-85 -107.16 -38.69 5.92 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.282 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -178.393 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' OE1' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -66.0 -27.84 68.43 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.255 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 -19.41 24.1 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.687 0.756 . . . . 0.0 110.031 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.35 -46.1 18.31 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.552 0.741 . . . . 0.0 110.55 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.28 -34.2 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.524 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 62.6 mttp -61.03 -27.49 68.37 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.831 0.348 . . . . 0.0 111.398 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -65.67 -43.62 88.76 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.767 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -80.74 -32.5 35.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.549 ' O ' HG21 ' A' ' 121' ' ' VAL . . . -53.44 -59.29 4.77 Favored 'General case' 0 C--O 1.205 -1.281 0 O-C-N 123.772 0.67 . . . . 0.0 110.196 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.1 pptp? -63.5 -22.29 66.81 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.439 0.638 . . . . 0.0 111.988 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.04 44.3 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 120.981 0.42 . . . . 0.0 110.161 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 76.8 mt -83.23 -31.23 8.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 11.8 ttt -44.69 -42.29 7.45 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.997 1.319 . . . . 0.0 110.761 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.27 -61.5 1.64 Allowed 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.113 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 6.6 t70 -99.0 118.09 63.28 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.72 -0.7 4.45 Favored 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.877 2.385 . . . . 0.0 112.993 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -75.29 -50.19 16.85 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HB3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -70.28 -6.04 32.1 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.844 0.83 . . . . 0.0 112.488 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.407 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -57.06 -36.12 70.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.926 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.32 -50.54 72.6 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 122.811 0.444 . . . . 0.0 111.8 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.35 -50.58 64.73 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.2 0.6 . . . . 0.0 111.397 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.92 -33.33 60.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.639 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 3.0 m-85 -64.24 -37.04 86.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.086 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.703 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -73.78 -40.86 63.13 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.997 177.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 8.8 tmtt? -60.07 -33.6 72.29 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.915 0.76 . . . . 0.0 109.442 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 101' ' ' TYR . 12.1 m0 -68.39 -47.9 66.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.739 -0.785 . . . . 0.0 111.961 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.05 76.94 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.013 0.435 . . . . 0.0 110.357 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.522 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -51.81 -38.91 57.63 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.993 1.717 . . . . 0.0 113.152 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.645 ' HB2' ' CE1' ' A' ' 101' ' ' TYR . 27.8 mmtm -106.67 2.7 26.06 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.01 70.38 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.308 -0.948 . . . . 0.0 112.684 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.645 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 96.6 m-85 -57.09 114.2 2.03 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.2 m -95.34 142.12 28.11 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.074 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -45.42 -38.23 5.84 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.93 1.292 . . . . 0.0 113.643 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.7 t -64.67 -30.51 71.53 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.2 -28.63 25.31 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.508 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 1.6 tm? -61.13 -39.65 90.82 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.7 t -64.0 -19.04 64.88 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.245 0.618 . . . . 0.0 111.949 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.86 -35.72 29.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.505 0.669 . . . . 0.0 109.287 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 6.8 m-85 -71.72 -48.02 49.99 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.169 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD13 HD13 ' A' ' 106' ' ' LEU . 8.9 mp -97.58 34.34 1.86 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.033 0.933 . . . . 0.0 110.312 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 111' ' ' LYS . 39.4 ttmt . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.372 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -62.79 1.43 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.23 0.956 . . . . 0.0 111.828 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -47.67 -46.37 29.08 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.664 0.602 . . . . 0.0 111.355 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.549 HG21 ' O ' ' A' ' 79' ' ' ALA 0.345 12.7 t -66.16 -54.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.379 0.0 OUTLIER -85.03 -21.16 29.53 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 116.884 -1.927 . . . . 0.0 114.867 -177.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.14 76.7 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.28 50.05 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.508 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 48.9 t80 -60.89 -44.42 97.12 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.2 ptp -55.12 -22.79 18.05 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -59.6 -19.45 48.99 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.84 0.856 . . . . 0.0 111.226 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.32 -15.31 63.61 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.634 -0.666 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 6.2 mmm180 -66.69 -26.24 66.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.49 9.07 41.4 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.413 0.625 . . . . 0.0 109.928 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -120.75 -36.73 3.11 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.738 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.77 179.583 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 75' ' ' VAL . 36.6 mt-10 . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -53.31 -39.8 64.31 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.45 -18.87 59.76 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.154 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -33.89 22.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 71' ' ' GLU . 71.8 t -53.91 -37.8 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.279 0.632 . . . . 0.0 110.608 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 110' ' ' LEU . 35.8 mtmt -65.85 -17.95 65.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.61 -41.62 62.56 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.468 ' O ' HG12 ' A' ' 82' ' ' ILE . 97.0 mmm -77.68 -33.64 53.24 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.816 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -59.91 -37.33 79.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -60.03 -38.68 83.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.158 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.59 -30.85 64.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.008 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 78' ' ' MET . 46.7 mm -72.38 -38.24 60.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.742 0.782 . . . . 0.0 108.901 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.4 ttm -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.383 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.53 -55.56 4.6 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.888 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.588 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.0 t70 -122.77 125.34 26.4 Favored Pre-proline 0 C--O 1.247 0.97 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.292 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -93.15 -1.92 3.46 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 122.843 2.362 . . . . 0.0 113.418 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -71.59 -45.52 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -86.72 -5.63 59.06 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.622 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 82' ' ' ILE . . . -54.75 -37.69 66.24 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.45 -49.0 68.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.381 0.426 . . . . 0.0 111.925 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -53.83 -47.4 70.96 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.477 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.0 t -71.44 -29.97 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.083 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.636 -174.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 20.4 m-30 -66.06 -39.85 90.42 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.351 0.595 . . . . 0.0 109.752 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -30.42 45.8 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.862 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 4.8 tmtm? -71.17 -21.72 62.13 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 27.1 m0 -82.49 -31.32 29.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.908 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.49 87.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.187 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.511 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 2.4 p30 -67.27 -30.37 70.23 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.078 0.466 . . . . 0.0 111.402 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -80.46 -5.34 56.44 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.663 0.744 . . . . 0.0 110.42 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.54 33.68 37.93 Favored Glycine 0 N--CA 1.408 -3.175 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.276 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.79 155.47 19.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.481 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 59.3 m -148.13 152.75 37.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.7 tp -45.07 -47.92 11.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.267 1.027 . . . . 0.0 113.083 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -65.68 -27.22 68.2 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 120.981 0.42 . . . . 0.0 112.007 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.584 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 125' ' ' TYR . 16.0 tp -67.13 -29.5 69.24 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.7 m -58.74 -29.35 66.67 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.188 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -85.78 -41.23 15.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.184 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.442 ' O ' ' HD3' ' A' ' 76' ' ' LYS . 14.6 m-30 -63.53 -50.15 70.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.034 0.445 . . . . 0.0 111.698 -175.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 6.5 mp -79.69 -30.55 41.13 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 121.94 0.876 . . . . 0.0 108.893 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptp . . . . . 0 N--CA 1.428 -1.56 0 CA-C-N 112.321 -2.218 . . . . 0.0 111.611 -179.486 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.218 -0.601 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -64.05 -30.13 71.22 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 118.975 0.807 . . . . 0.0 111.783 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -46.1 76.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.899 0.88 . . . . 0.0 109.473 174.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.404 HG11 ' HB1' ' A' ' 79' ' ' ALA . 7.6 p -83.9 -33.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.962 0.41 . . . . 0.0 111.201 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -59.89 -53.27 59.91 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.568 0.747 . . . . 0.0 110.494 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -62.42 -34.57 77.02 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.697 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.49 -37.93 86.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.688 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.6 ' CD2' HD22 ' A' ' 106' ' ' LEU . 77.7 t80 -69.26 -35.5 76.15 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.4 ttt -51.82 -37.49 52.01 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.498 0.719 . . . . 0.0 111.633 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.45 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 15.9 m -56.21 -18.84 11.43 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 124.765 1.226 . . . . 0.0 113.538 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.713 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -69.23 -18.44 63.88 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.642 -1.286 . . . . 0.0 111.232 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.635 ' NH1' ' HA ' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -71.54 -20.99 61.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.37 179.131 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 5.0 m-20 -84.02 -8.16 59.21 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.532 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.713 ' CE2' ' HA ' ' A' ' 128' ' ' TYR . 51.3 p90 -128.88 -37.2 1.74 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.505 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.2 mt-10 . . . . . 0 C--O 1.214 -0.767 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -29.93 45.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.33 -19.79 30.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.71 15.23 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG13 ' CZ2' ' A' ' 96' ' ' TRP . 78.1 t -54.38 -43.93 64.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.278 1.031 . . . . 0.0 112.229 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.81 -29.46 62.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -40.49 47.08 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.802 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.7 mmt -73.11 -26.18 61.14 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.495 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.99 82.3 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.63 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -69.35 -26.83 64.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.251 -0.98 . . . . 0.0 110.386 177.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -64.82 -24.32 67.51 Favored 'General case' 0 C--O 1.197 -1.678 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.851 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.48 -44.62 17.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.761 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 21.0 ptt? -82.71 -21.9 34.66 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -173.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.04 -40.95 6.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.773 0.321 . . . . 0.0 111.357 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.642 ' OD2' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -125.53 64.94 50.14 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.284 -176.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.92 1.58 2.24 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.946 3.097 . . . . 0.0 115.583 -168.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 t -69.46 -39.68 77.6 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.057 0.456 . . . . 0.0 109.782 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -88.67 -5.2 58.28 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.0 -41.4 11.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -50.12 -53.63 26.12 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -60.27 -25.98 66.12 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.874 0.369 . . . . 0.0 111.93 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.61 -43.35 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 125' ' ' TYR . 6.9 m-85 -61.46 -42.74 99.24 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 120.937 0.399 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -23.67 59.44 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.457 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 12.8 tmtt? -78.51 -34.23 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.499 ' CZ2' HG13 ' A' ' 75' ' ' VAL . 38.9 m0 -75.5 -35.09 60.87 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.952 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.13 77.05 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.78 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.56 67.05 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -100.67 0.78 39.75 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.04 77.36 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.465 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -69.75 114.1 7.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.611 0.719 . . . . 0.0 109.53 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.508 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 18.0 p -100.63 166.33 10.95 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.648 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.21 -35.54 49.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.649 1.18 . . . . 0.0 112.967 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.7 t -74.72 -33.97 62.48 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.792 0.329 . . . . 0.0 111.435 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -83.1 -22.08 33.51 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.617 0.723 . . . . 0.0 109.133 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.435 HD11 ' CZ3' ' A' ' 96' ' ' TRP . 15.8 tp -64.92 -19.5 65.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.123 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 111' ' ' LYS . 41.1 t -69.28 -26.54 64.81 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.075 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.91 -20.96 29.91 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.943 0.878 . . . . 0.0 110.054 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -93.78 -50.12 5.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.91 -49.59 4.73 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 107' ' ' SER . 23.0 tptp . . . . . 0 C--N 1.286 -2.169 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.897 -165.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 C--O 1.215 -0.741 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.46 -57.36 4.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.282 1.433 . . . . 0.0 111.926 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -58.74 -42.06 87.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.967 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -79.87 -43.07 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.542 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.02 -60.88 2.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.187 0.595 . . . . 0.0 109.729 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.779 0.832 . . . . 0.0 110.811 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.12 72.41 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.562 ' O ' ' HD1' ' A' ' 128' ' ' TYR . 16.4 m-85 -71.09 -22.63 62.08 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 52.1 ttm -48.77 -34.01 11.42 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 m -68.67 -24.57 64.53 Favored 'General case' 0 C--O 1.196 -1.76 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.562 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.5 OUTLIER -70.94 -12.31 61.46 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-N 118.459 0.572 . . . . 0.0 111.555 -174.186 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -60.47 -5.86 1.36 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -174.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.24 -17.88 17.12 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 118.226 0.466 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.14 -37.65 8.48 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.242 0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.099 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -65.34 -46.47 80.11 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.07 60.38 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.325 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.97 -56.62 3.47 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.93 -36.35 77.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -67.97 -17.66 64.5 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.52 -39.04 58.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.9 mtt -74.76 -37.45 62.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -58.31 -40.55 82.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.032 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -35.46 76.25 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.243 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.45 -39.81 81.34 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.623 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 57.6 mt -79.31 -23.0 12.41 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 CA-C-O 122.043 0.925 . . . . 0.0 110.463 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -64.96 -22.33 66.98 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.728 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.82 -55.73 2.37 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.496 0.665 . . . . 0.0 109.475 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.6 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 24.5 t0 -98.9 112.38 62.73 Favored Pre-proline 0 C--N 1.311 -1.086 0 C-N-CA 124.555 1.142 . . . . 0.0 110.566 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -95.9 5.83 1.97 Allowed 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 122.479 2.12 . . . . 0.0 112.878 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 t -92.63 -35.77 13.35 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 109.954 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -8.41 59.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.16 0.505 . . . . 0.0 110.352 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' CZ ' ' A' ' 93' ' ' TYR . . . -51.56 -45.96 63.25 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.27 -50.3 73.34 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -39.56 60.99 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.66 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.563 ' HB ' HD11 ' A' ' 82' ' ' ILE . 26.7 t -78.08 -38.54 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.839 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.439 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 16.6 m-30 -62.75 -48.2 80.24 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -43.07 81.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.381 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.9 ptpp? -78.46 -27.26 46.33 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.416 -178.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -62.41 -28.15 69.59 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.98 -38.72 79.51 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.315 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -28.23 48.69 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.421 0.629 . . . . 0.0 109.724 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -81.56 0.76 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.784 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.3 9.24 85.28 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.103 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -93.31 113.13 25.23 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -105.63 165.97 10.78 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.991 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.3 tp -43.91 -54.1 5.59 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.758 1.223 . . . . 0.0 112.543 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -60.84 -35.93 77.81 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.12 -27.44 26.24 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 121.055 0.455 . . . . 0.0 110.1 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.88 -27.55 66.76 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.896 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -64.26 -31.92 73.31 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.57 -52.97 62.9 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.371 0.668 . . . . 0.0 110.275 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.02 -49.8 54.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.318 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 121' ' ' VAL . 8.1 mp -75.31 -17.96 60.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -167.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.1 mttp . . . . . 0 C--N 1.298 -1.67 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 . . . . . 0 CA--C 1.499 -1.006 0 CA-C-O 121.593 0.711 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.56 -19.07 61.56 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.646 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -55.83 -54.35 45.63 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-O 121.344 0.592 . . . . 0.0 109.86 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 79' ' ' ALA . 2.9 p -69.4 -32.05 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.518 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -64.6 -52.01 59.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 111.233 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -32.53 74.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.12 -32.22 58.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.895 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.43 -31.51 72.23 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.275 1.03 . . . . 0.0 111.532 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.9 tpt -51.74 -28.48 15.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.076 0.95 . . . . 0.0 112.246 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.3 m -57.59 -23.76 52.61 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.81 0.844 . . . . 0.0 112.247 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.513 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -72.86 -17.73 61.5 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.711 -0.618 . . . . 0.0 111.212 -176.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.522 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -70.32 0.39 6.55 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.027 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -86.04 -26.76 25.18 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -117.67 -28.47 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.522 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 45.5 t . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.15 -41.47 62.6 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.516 ' O ' ' HD3' ' A' ' 77' ' ' LYS . . . -68.12 -29.38 68.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.771 0.319 . . . . 0.0 111.832 -176.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.76 -43.4 14.29 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.004 0.43 . . . . 0.0 109.983 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG13 ' CZ2' ' A' ' 96' ' ' TRP . 90.7 t -61.16 -35.2 64.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.621 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 28.7 mtpp -67.57 -24.0 65.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 73' ' ' ALA . 5.3 mptp? -82.62 -35.13 27.29 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.281 0.562 . . . . 0.0 109.521 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.1 mmt -72.29 -26.51 61.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.248 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.1 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 80' ' ' LYS . 11.6 tmtt? -61.19 -44.4 97.35 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -60.44 -23.88 64.76 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.418 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.5 -59.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.9 ttp -58.56 -45.06 89.79 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.231 -173.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.52 -25.5 19.23 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 123.881 0.738 . . . . 0.0 112.015 -175.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 5.2 m-20 -112.75 79.99 3.56 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.1 -34.14 29.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.223 1.949 . . . . 0.0 114.959 -168.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -82.48 -18.41 41.76 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.646 0.736 . . . . 0.0 109.721 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HE2' ' HB1' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -87.94 -15.08 37.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.699 -178.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.83 -37.99 20.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.86 -38.61 88.91 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 120.639 0.256 . . . . 0.0 111.155 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -37.52 61.76 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.683 0.754 . . . . 0.0 110.961 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 18.9 t -81.8 -40.3 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.33 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -62.47 -48.89 77.62 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -43.02 99.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.178 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.0 ptpp? -75.18 -28.93 60.23 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.9 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.459 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 25.0 m0 -66.17 -23.48 66.47 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.756 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.89 66.58 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.426 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -24.93 56.08 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.483 0.659 . . . . 0.0 109.702 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.612 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -75.41 -6.68 51.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.387 175.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.89 7.53 64.33 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.459 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -77.23 114.11 15.69 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.233 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.7 24.6 10.93 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.201 1.4 . . . . 0.0 113.255 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 125' ' ' TYR . 69.1 tp 62.79 73.64 0.46 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.331 1.062 . . . . 0.0 110.907 -174.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.63 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.196 -1.366 . . . . 0.0 109.766 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -58.83 -26.17 63.9 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.835 1.254 . . . . 0.0 112.09 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 125' ' ' TYR . 23.4 tp -53.55 -33.12 53.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.11 0.964 . . . . 0.0 111.223 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -60.61 -33.03 72.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.436 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.44 -42.59 15.48 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.38 -0.528 . . . . 0.0 112.273 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -58.49 -48.93 79.18 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.902 0.858 . . . . 0.0 111.025 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 118' ' ' TYR . 7.8 mp -71.76 -47.55 52.9 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm . . . . . 0 C--N 1.308 -1.201 0 C-N-CA 126.879 2.072 . . . . 0.0 111.895 171.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HB3' HD23 ' A' ' 110' ' ' LEU . 21.4 m-85 . . . . . 0 CA--C 1.559 1.296 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.57 -64.35 0.75 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.537 1.535 . . . . 0.0 113.6 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -75.05 -32.97 61.67 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.74 -40.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.216 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -69.13 -53.19 21.45 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.042 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.57 -47.44 84.25 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.629 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.55 -43.21 99.14 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.596 ' CD2' HD22 ' A' ' 106' ' ' LEU . 71.5 t80 -62.09 -51.2 68.88 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.718 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -57.69 -22.07 44.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.3 m -67.24 -19.71 65.56 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.536 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 1.5 p90 -68.95 -13.36 62.4 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.555 -0.716 . . . . 0.0 111.357 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.504 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 18.3 mmm-85 -66.71 2.94 1.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.35 -31.13 57.9 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 172.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -79.85 -32.87 40.55 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.504 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 8.0 p . . . . . 0 C--O 1.249 1.074 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE1' ' HE3' ' A' ' 95' ' ' LYS . 31.0 tt0 . . . . . 0 CA--C 1.567 1.631 0 CA-C-O 121.277 0.56 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -48.99 -25.83 2.19 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.536 1.534 . . . . 0.0 114.597 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.87 -29.21 17.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.96 0.409 . . . . 0.0 111.895 -176.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.17 13.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.472 HG23 ' HE1' ' A' ' 96' ' ' TRP . 14.4 p -55.58 -38.95 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.338 0.655 . . . . 0.0 112.041 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.86 -27.59 68.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -74.2 -44.42 53.39 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.66 -42.11 95.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.776 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -60.73 -52.61 64.36 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.721 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -21.25 64.28 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.922 0.391 . . . . 0.0 111.841 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.86 66.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 58.3 mt -70.92 -36.18 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.207 0.527 . . . . 0.0 110.103 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.2 ttt -56.13 -25.94 48.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.952 0.901 . . . . 0.0 111.337 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.39 -22.85 14.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.662 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.8 t70 -152.76 119.47 3.04 Favored Pre-proline 0 C--O 1.249 1.058 0 C-N-CA 122.321 0.248 . . . . 0.0 110.779 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -92.73 2.06 3.72 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 122.57 2.18 . . . . 0.0 113.19 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.6 m -70.92 -45.06 64.89 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 117.602 0.183 . . . . 0.0 111.415 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -87.06 -4.5 59.16 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.22 -23.48 55.92 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -62.11 -52.09 65.28 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 122.845 0.458 . . . . 0.0 111.603 -174.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.23 -29.87 69.63 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.248 0.546 . . . . 0.0 111.043 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.1 t -63.6 -31.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.372 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.19 -35.74 74.15 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.76 87.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.901 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' ' OE1' ' A' ' 71' ' ' GLU . 7.2 tmtm? -60.92 -36.53 79.55 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.674 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.472 ' HE1' HG23 ' A' ' 75' ' ' VAL . 23.3 m0 -70.41 -24.03 62.85 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.333 -0.854 . . . . 0.0 112.208 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.28 -24.7 63.09 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.497 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -68.56 -21.83 64.52 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 121.632 0.73 . . . . 0.0 109.49 177.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.497 ' HD2' ' CG ' ' A' ' 98' ' ' ASP . 17.0 mmmt -91.86 -15.07 28.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.779 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.07 24.79 68.09 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.441 -176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.527 ' CD2' HD13 ' A' ' 106' ' ' LEU . 19.0 m-85 -67.53 114.15 5.95 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.304 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 m -98.87 94.35 6.53 Favored 'General case' 0 N--CA 1.425 -1.692 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.309 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.434 ' HA ' ' CE2' ' A' ' 125' ' ' TYR . 51.5 tp 38.09 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.386 2.274 . . . . 0.0 115.187 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 107' ' ' SER . 10.0 t -63.5 -20.79 65.9 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.945 1.298 . . . . 0.0 112.252 -175.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.8 -25.14 33.01 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 101' ' ' TYR . 67.1 tp -72.53 -25.79 61.51 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 104' ' ' THR . 17.6 m -61.02 -18.75 59.47 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.033 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 0.4 OUTLIER -84.72 -34.87 22.82 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 174.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.439 ' HB3' HG11 ' A' ' 75' ' ' VAL . 90.2 m-85 -68.47 -22.82 64.54 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.364 1.078 . . . . 0.0 109.146 175.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mp -107.7 3.63 24.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.744 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 108' ' ' ASP 0.443 62.0 mttm . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -172.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.432 ' HB3' ' CG1' ' A' ' 121' ' ' VAL . 81.9 m-85 . . . . . 0 C--O 1.218 -0.604 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.9 -52.07 3.11 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.246 1.018 . . . . 0.0 112.851 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 4.8 mmp_? -53.82 -44.12 69.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 79' ' ' ALA . 14.8 p -82.72 -31.81 9.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.385 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -62.26 -44.69 95.97 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.517 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -50.75 64.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 123.564 0.54 . . . . 0.0 110.367 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.9 -45.15 94.87 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.644 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 103' ' ' LEU . 43.4 t80 -59.72 -47.66 84.76 Favored 'General case' 0 C--O 1.209 -1.035 0 C-N-CA 122.797 0.439 . . . . 0.0 111.65 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.0 ttt -53.93 -29.17 41.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.315 1.046 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.9 m -66.18 -19.5 65.85 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.747 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.516 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -68.12 -19.65 64.85 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 121.298 -0.876 . . . . 0.0 111.031 -177.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -69.23 -0.12 5.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -84.44 -28.58 26.75 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.68 -25.42 5.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.929 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.491 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 41.0 t . . . . . 0 C--N 1.316 -0.855 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.505 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -46.48 -37.28 7.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.627 1.171 . . . . 0.0 112.767 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.89 64.9 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.164 0.506 . . . . 0.0 111.785 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.59 -35.12 21.22 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.511 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -58.26 -27.13 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.31 -41.66 73.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 0.0 110.091 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.07 -28.6 57.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.401 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -61.54 -48.76 79.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.303 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -36.13 81.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.407 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.79 82.52 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 71.2 mt -70.46 -25.09 26.27 Favored 'Isoleucine or valine' 0 C--O 1.251 1.177 0 CA-C-O 122.126 0.965 . . . . 0.0 110.575 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ttt -71.86 -19.8 61.9 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.906 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.55 -49.76 4.3 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 13.1 t70 -118.88 127.21 26.66 Favored Pre-proline 0 C--N 1.312 -1.046 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.407 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -95.86 6.8 1.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.303 2.002 . . . . 0.0 112.949 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -87.69 -52.05 5.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.749 0.309 . . . . 0.0 110.356 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -73.07 -4.2 31.09 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -176.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.59 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.162 0.985 . . . . 0.0 112.301 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -56.94 -52.0 66.94 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.857 0.863 . . . . 0.0 110.62 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 94' ' ' GLN . 1.4 t70 -55.68 -37.24 68.07 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.202 1.401 . . . . 0.0 112.17 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 82' ' ' ILE . 23.7 t -77.38 -40.3 28.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.852 -176.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.09 -35.46 80.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.564 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 1.9 tt0 -56.78 -57.34 12.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.264 173.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.571 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.4 tmtt? -61.09 -24.89 66.57 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.792 0.837 . . . . 0.0 110.395 -178.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.408 ' HA ' ' CD2' ' A' ' 101' ' ' TYR . 42.3 m0 -83.5 -49.23 9.47 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.509 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.57 -27.02 62.87 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -23.7 52.95 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.398 0.618 . . . . 0.0 110.186 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -93.73 -7.72 42.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.133 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.67 30.77 52.0 Favored Glycine 0 N--CA 1.434 -1.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.405 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 96' ' ' TRP . 23.6 m-85 -74.08 135.78 42.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.334 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.504 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 25.5 p -98.69 159.75 14.74 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.159 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.77 -37.91 60.22 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.409 0.684 . . . . 0.0 112.345 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.3 t -66.48 -36.91 83.9 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.067 0.46 . . . . 0.0 110.758 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -75.59 -34.0 60.61 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 125' ' ' TYR . 3.3 tm? -63.12 -34.77 78.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.511 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -60.33 -50.42 73.71 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.02 -31.08 69.62 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.946 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.417 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 22.3 m-30 -72.01 -49.14 39.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.334 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.89 -43.84 34.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.28 -2.419 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 C--O 1.207 -1.132 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.81 -39.58 71.53 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.647 0.26 . . . . 0.0 111.206 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -53.45 -44.73 69.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.3 p -83.96 -33.95 9.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.167 0.508 . . . . 0.0 110.631 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -69.15 -57.76 4.96 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.359 0.664 . . . . 0.0 112.222 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.95 -31.43 72.0 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.12 -35.11 82.8 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.361 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.532 ' CD2' ' HG ' ' A' ' 106' ' ' LEU . 51.7 t80 -67.29 -28.75 68.28 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.116 0.567 . . . . 0.0 111.973 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.2 tpt -50.85 -32.67 20.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.288 0.635 . . . . 0.0 112.223 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -55.6 -19.63 10.91 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.242 1.017 . . . . 0.0 112.49 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.504 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -78.17 -20.4 52.05 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.427 -0.795 . . . . 0.0 110.363 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -76.11 -10.58 59.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.44 -167.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.49 -2.84 32.09 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.942 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -127.24 -36.29 2.14 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.143 -177.828 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 30.9 pttt -42.36 -32.74 0.55 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -172.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.27 42.4 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.48 -39.46 18.88 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 120.91 0.386 . . . . 0.0 111.262 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 109' ' ' PHE . 12.4 p -57.93 -26.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.245 0.618 . . . . 0.0 111.501 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 68.0 mttm -62.27 -33.52 74.79 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.023 0.439 . . . . 0.0 110.825 176.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -69.32 -24.27 63.91 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.547 0.689 . . . . 0.0 110.762 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.0 mmt -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.7 81.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.917 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -62.17 -26.24 68.23 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.387 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.73 -39.13 22.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.392 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.9 mm -65.98 -32.03 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.37 1.081 . . . . 0.0 108.709 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.2 ttm -70.29 -25.9 63.54 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.681 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.57 -51.8 8.34 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.464 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 19.7 t70 -133.83 122.53 16.59 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.958 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -94.32 7.39 2.37 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 m -84.37 -42.15 16.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.597 0.713 . . . . 0.0 109.698 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.66 -5.37 59.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.288 177.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.65 -39.56 58.39 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.03 -38.38 62.34 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.15 -30.37 70.33 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 119.566 -0.853 . . . . 0.0 111.211 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.414 ' HA ' ' HB2' ' A' ' 95' ' ' LYS . 47.9 t -81.57 -28.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.02 -45.0 94.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.48 80.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.624 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 7.1 mmtm -67.65 -45.3 75.71 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.024 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.174 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.91 89.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.624 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -80.65 -12.77 59.44 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.845 0.831 . . . . 0.0 110.534 -177.019 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -4.09 37.92 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.8 22.19 67.0 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.316 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -98.78 113.86 26.15 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.6 p -103.67 172.2 6.94 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.919 0.137 . . . . 0.0 110.712 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.87 -42.39 68.55 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.867 0.867 . . . . 0.0 112.203 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -69.21 -28.12 66.09 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.46 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.81 -24.12 67.59 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.395 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 m -61.84 -30.24 70.71 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.135 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.82 -45.79 12.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.824 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' HB3' HG11 ' A' ' 75' ' ' VAL . 21.5 m-30 -52.39 -48.99 65.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.627 1.204 . . . . 0.0 111.519 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.8 -47.03 10.1 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.657 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? . . . . . 0 C--O 1.241 0.619 0 CA-C-O 123.263 1.506 . . . . 0.0 108.764 -177.053 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -64.38 0.64 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.142 1.777 . . . . 0.0 113.803 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.34 -49.44 76.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.01 -43.07 89.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -174.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -71.76 -55.15 8.17 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.216 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.57 -37.16 92.35 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.544 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.88 -33.67 76.57 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.565 0.346 . . . . 0.0 111.674 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.8 ttt -50.33 -34.33 23.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.001 0.921 . . . . 0.0 112.395 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.2 m -57.38 -20.8 31.82 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.414 1.086 . . . . 0.0 112.342 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.457 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.9 OUTLIER -62.82 -24.73 67.91 Favored 'General case' 0 C--O 1.207 -1.162 0 O-C-N 121.77 -0.581 . . . . 0.0 111.003 -177.147 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.544 ' HA ' ' NE ' ' A' ' 129' ' ' ARG . 1.0 OUTLIER -64.97 -18.08 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.25 -11.18 50.43 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.478 0.486 . . . . 0.0 111.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -136.64 -27.84 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.927 179.705 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -54.98 -48.0 73.85 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.545 1.164 . . . . 0.0 108.66 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' LYS . . . -76.59 -19.36 57.94 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.477 -1.692 . . . . 0.0 111.722 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.36 -56.95 3.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.838 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.76 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 76.4 tttt -70.19 -18.06 63.17 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.493 0.663 . . . . 0.0 111.198 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.5 tppp? -76.66 -29.9 56.57 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.0 mtt -82.57 -36.98 25.74 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -56.74 -41.13 76.97 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.626 0.771 . . . . 0.0 110.027 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.4 OUTLIER -57.99 -29.45 65.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.908 175.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.23 -35.75 47.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 0.0 111.601 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 92' ' ' VAL . 1.9 mp -74.4 -26.59 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.469 0.652 . . . . 0.0 110.397 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 27.3 ptm -70.3 -16.5 63.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.879 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.03 -58.4 2.41 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 18.6 t70 -115.0 115.66 43.1 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -95.44 13.26 1.29 Allowed 'Trans proline' 0 N--CA 1.436 -1.893 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 -43.81 9.21 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.523 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.14 -4.54 59.19 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.54 0.686 . . . . 0.0 110.755 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.85 -32.75 15.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.464 -1.244 . . . . 0.0 113.186 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.23 -49.94 70.72 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -54.86 -42.61 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.706 1.202 . . . . 0.0 111.859 176.007 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 82' ' ' ILE . 55.3 t -74.38 -32.34 30.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.757 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -68.54 -47.02 67.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 4.8 pp0? -66.35 -36.61 83.34 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.542 -177.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -75.76 -17.49 59.87 Favored 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.406 179.465 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -79.31 -40.66 29.83 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.115 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.07 96.4 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.941 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.492 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -74.13 -20.44 60.24 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.921 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 47.7 mmtm -90.16 -2.48 58.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.822 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.84 12.03 58.35 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.846 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -72.34 125.84 28.37 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.128 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -104.34 142.65 34.18 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.883 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -42.15 -45.1 3.92 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.184 1.394 . . . . 0.0 113.103 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -56.55 -32.6 65.31 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -77.54 -22.22 51.39 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 122.638 0.375 . . . . 0.0 110.78 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CD2' ' A' ' 125' ' ' TYR . 20.8 tp -67.69 -26.35 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 0.0 109.838 -176.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m -62.22 -33.59 74.85 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.929 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 29.4 t70 -75.42 -34.19 61.0 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.398 0.618 . . . . 0.0 110.689 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 19.0 m-85 -75.11 -49.0 21.03 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -86.85 22.81 1.87 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.286 0.846 . . . . 0.0 113.286 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 108' ' ' ASP . 24.8 pttm . . . . . 0 C--O 1.257 1.495 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.215 -0.755 0 CA-C-O 121.263 0.554 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.84 -23.82 66.07 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.41 -55.88 17.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.1 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.458 HG11 ' HB1' ' A' ' 79' ' ' ALA . 4.8 p -68.25 -36.82 76.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.776 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -64.45 -58.62 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.426 0.155 . . . . 0.0 111.388 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -62.27 -35.67 79.69 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.479 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.12 -49.79 68.64 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.546 ' CD2' HD22 ' A' ' 106' ' ' LEU . 69.8 t80 -61.79 -38.7 89.03 Favored 'General case' 0 C--O 1.195 -1.79 0 C-N-CA 122.752 0.421 . . . . 0.0 110.828 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -51.52 -33.11 30.39 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.618 0.767 . . . . 0.0 111.732 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.2 m -65.21 -19.57 66.03 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.623 0.769 . . . . 0.0 111.672 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.9 OUTLIER -66.35 -18.45 65.37 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.48 -0.762 . . . . 0.0 110.174 -178.469 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.2 mmm180 -65.78 -13.72 59.98 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.28 -17.38 27.54 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.473 0.654 . . . . 0.0 110.278 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -118.41 -36.71 3.47 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -173.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.239 0.542 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.6 -29.45 70.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.238 0.542 . . . . 0.0 110.877 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.06 -20.66 64.1 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.971 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.51 -44.26 12.84 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.05 -37.85 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.01 0.924 . . . . 0.0 111.589 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -61.32 -22.44 64.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -35.18 46.27 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.62 -42.08 78.58 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.112 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.3 61.07 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.38 -43.9 22.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.449 HD11 HG21 ' A' ' 92' ' ' VAL . 1.7 mp -67.88 -31.3 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.74 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.76 -24.77 67.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.61 -55.27 3.86 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD2' ' HG2' ' A' ' 88' ' ' LYS . 12.2 t70 -108.03 116.33 57.18 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.242 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.04 -5.43 7.71 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 122.423 2.082 . . . . 0.0 113.167 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -69.58 -45.01 69.65 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-O 120.876 0.37 . . . . 0.0 110.925 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 85' ' ' ASP . 8.6 ptpp? -86.81 -7.05 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.542 0.687 . . . . 0.0 110.429 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.77 95.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -168.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 9.7 t70 -65.37 -46.3 80.7 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-O 121.037 0.446 . . . . 0.0 110.431 -174.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.7 -28.09 65.46 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.628 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG21 HD11 ' A' ' 82' ' ' ILE . 88.2 t -83.5 -35.19 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 20.0 m-85 -63.35 -48.26 78.72 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.8 -32.26 73.68 Favored 'General case' 0 C--O 1.198 -1.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.73 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tmmm? -70.04 -28.56 65.56 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 121.648 0.737 . . . . 0.0 109.823 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -71.0 -41.97 70.24 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.611 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.62 84.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.047 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -23.07 65.13 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.562 0.696 . . . . 0.0 111.233 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.619 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -93.88 1.83 56.29 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.056 -0.403 . . . . 0.0 110.911 175.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 4.4 68.83 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.941 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -85.9 113.51 22.09 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t -111.67 165.17 12.26 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.833 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.1 tp -71.26 81.82 0.74 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.958 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.8 t 170.05 -42.31 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.837 2.055 . . . . 0.0 106.233 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.07 -40.66 16.56 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.044 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.27 -28.33 67.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.334 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.8 m -63.94 -26.0 68.39 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.435 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.21 -26.21 28.9 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-O 121.214 0.53 . . . . 0.0 111.148 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -66.48 -47.4 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.34 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.92 -32.41 40.16 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.562 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 111' ' ' LYS . 32.8 tptt . . . . . 0 CA--C 1.504 -0.795 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -174.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 C--O 1.217 -0.633 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.06 -63.24 1.16 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 126.399 1.88 . . . . 0.0 111.288 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.22 -39.77 93.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.813 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.96 -38.65 43.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.098 -0.641 . . . . 0.0 112.025 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.88 -52.78 47.26 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.53 -32.32 73.91 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.21 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -46.18 60.73 Favored Glycine 0 N--CA 1.438 -1.229 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -63.62 -37.44 87.32 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.387 0.675 . . . . 0.0 110.971 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.8 ttp -50.61 -31.94 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.185 0.994 . . . . 0.0 112.148 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -58.67 -24.44 61.26 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -13.98 62.72 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.892 -0.505 . . . . 0.0 110.892 -176.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -61.89 -6.09 2.54 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.48 -28.9 18.26 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.486 0.491 . . . . 0.0 111.021 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -86.7 -38.29 17.13 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.667 -0.813 . . . . 0.0 112.749 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.248 1.015 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.389 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -51.91 -34.11 39.99 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 123.736 0.814 . . . . 0.0 112.484 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -78.36 -22.06 48.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.505 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.65 -47.54 9.72 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.2 -49.25 77.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.122 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.03 -17.62 63.54 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -69.77 -53.02 20.26 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.445 ' O ' HG13 ' A' ' 82' ' ' ILE . 18.6 mmt -68.84 -38.09 79.57 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 124.218 0.949 . . . . 0.0 112.121 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.476 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -53.03 -59.37 4.63 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 124.368 1.042 . . . . 0.0 110.967 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -22.85 66.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.913 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.85 -30.85 67.36 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 66.4 mt -80.4 -22.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.879 0.847 . . . . 0.0 108.769 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 120' ' ' ARG . 64.8 ttp -61.95 -34.68 76.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.147 176.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.59 -46.71 6.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.625 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 22.8 t70 -115.99 123.23 31.28 Favored Pre-proline 0 C--O 1.247 0.921 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.15 4.59 3.22 Favored 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.1 t -85.33 -51.41 6.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.401 0.62 . . . . 0.0 109.689 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.625 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -78.45 -5.42 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.705 0.764 . . . . 0.0 111.036 178.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.06 -49.66 68.49 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.417 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.77 -39.33 84.52 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -38.97 56.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.956 0.884 . . . . 0.0 110.602 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.451 HG21 ' HZ3' ' A' ' 88' ' ' LYS . 25.5 t -79.61 -36.3 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.806 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.983 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 4.7 m-85 -59.25 -47.31 85.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.551 0.215 . . . . 0.0 110.693 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.67 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -69.23 -40.46 77.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.237 0.541 . . . . 0.0 111.05 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HA ' ' OD1' ' A' ' 98' ' ' ASP . 4.1 ttmp? -68.04 -33.83 75.32 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.16 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -69.86 -22.44 63.26 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.308 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.8 -39.26 21.98 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.61 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -76.62 -29.52 56.52 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.007 0.432 . . . . 0.0 110.829 -176.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -80.81 1.91 28.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.732 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.09 15.84 77.96 Favored Glycine 0 N--CA 1.434 -1.453 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 173.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -64.73 112.93 3.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.392 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 42.46 0.61 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.822 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.3 tp 63.17 -72.13 0.05 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.344 1.058 . . . . 0.0 113.493 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.2 t -69.36 -6.17 28.18 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.648 0.779 . . . . 0.0 112.532 -174.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -84.97 -23.7 28.63 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.5 tp -75.93 -30.41 58.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 m -54.43 -36.81 64.43 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 114.065 -1.425 . . . . 0.0 112.238 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -84.54 -32.92 23.6 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.84 -35.11 80.05 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 122.388 1.09 . . . . 0.0 109.02 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.75 28.0 2.85 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.924 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 tptp . . . . . 0 CA--C 1.515 -0.388 0 C-N-CA 125.377 1.471 . . . . 0.0 111.237 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 N--CA 1.44 -0.944 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.36 -62.52 1.45 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.482 1.513 . . . . 0.0 112.241 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -66.28 -44.24 84.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -66.45 -45.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 126' ' ' MET . 83.3 t80 -79.63 -47.98 14.51 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.002 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -65.88 -32.95 74.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.27 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.87 45.77 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.492 ' HA ' ' CE2' ' A' ' 93' ' ' TYR . 79.5 t80 -54.68 -40.36 69.03 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.135 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 122' ' ' TYR . 86.3 mtp -51.64 -32.15 28.21 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.571 0.749 . . . . 0.0 112.584 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -66.08 -19.61 65.9 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.755 0.822 . . . . 0.0 112.072 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -24.21 65.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.923 -0.486 . . . . 0.0 111.579 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 1.1 tpm_? -68.04 -11.81 59.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.711 -166.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.17 -32.72 22.55 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.27 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.78 -36.39 6.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--O 1.256 1.411 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -177.665 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 75' ' ' VAL . 35.4 mt-10 . . . . . 0 C--O 1.215 -0.727 0 CA-C-O 120.647 0.261 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -45.88 -27.16 0.81 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.736 1.615 . . . . 0.0 115.013 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.42 -28.25 18.76 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -176.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.17 24.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.73 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 71' ' ' GLU . 76.4 t -55.53 -48.69 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.861 176.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.35 -20.84 66.57 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.112 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 74.6 mmtt -76.49 -44.68 34.29 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.87 -30.41 61.32 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.227 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -62.43 -46.03 90.4 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.744 175.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.0 tmtm? -65.71 -35.28 80.31 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.339 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -44.58 69.69 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.59 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.608 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 68.7 mt -69.35 -23.2 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.963 . . . . 0.0 110.387 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.537 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 7.5 ttt -60.79 -24.59 65.91 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.198 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.38 -54.79 2.53 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 18.1 t70 -106.92 127.22 28.46 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.466 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -96.42 1.34 1.99 Allowed 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.435 2.09 . . . . 0.0 112.898 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -79.33 -49.13 12.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.536 ' O ' ' HE3' ' A' ' 88' ' ' LYS 0.291 0.1 OUTLIER -81.01 -5.43 57.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.156 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.79 -43.73 2.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.941 1.297 . . . . 0.0 113.997 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.58 -46.61 73.78 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.62 0.575 . . . . 0.0 111.835 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -34.39 49.82 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.18 0.992 . . . . 0.0 112.094 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' HB ' HD11 ' A' ' 82' ' ' ILE . 65.9 t -83.17 -44.38 18.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.426 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -60.65 -46.68 89.41 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 123.37 0.418 . . . . 0.0 110.766 -177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -67.6 -34.79 77.71 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.713 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.688 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 2.9 ttmp? -81.53 -40.0 23.82 Favored 'General case' 0 C--O 1.2 -1.516 0 CA-C-O 122.034 0.921 . . . . 0.0 110.401 -175.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.529 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 2.3 m-90 -66.92 -21.5 65.99 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.214 1.007 . . . . 0.0 109.677 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . . . -76.01 -44.41 39.65 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 113.977 -1.465 . . . . 0.0 109.641 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.688 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -72.86 -36.95 67.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 123.51 0.506 . . . . 0.0 111.034 -177.146 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 13.3 mmmm -74.41 2.81 8.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.314 -177.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.85 -0.57 87.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.001 0.76 . . . . 0.0 115.001 173.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.76 113.4 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.139 0.971 . . . . 0.0 110.478 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -95.76 139.42 32.02 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -42.95 -44.18 4.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.23 1.412 . . . . 0.0 112.985 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 -41.73 99.02 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -82.25 -29.43 31.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.77 0.795 . . . . 0.0 109.069 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.09 -26.43 68.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.104 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.0 m -61.48 -31.26 71.23 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.252 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.419 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 21.3 t70 -80.98 -35.13 32.44 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.195 0.521 . . . . 0.0 110.184 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.95 -30.34 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.611 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.38 -42.34 20.61 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 14.5 tppt? . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 126.553 1.941 . . . . 0.0 110.519 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.424 ' O ' HG12 ' A' ' 121' ' ' VAL . 56.1 m-85 . . . . . 0 CA--C 1.487 -1.456 0 CA-C-O 122.784 1.278 . . . . 0.0 107.827 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -31.39 70.74 Favored 'General case' 0 C--N 1.269 -2.923 0 CA-C-N 113.483 -1.69 . . . . 0.0 110.079 -177.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -61.68 -46.67 88.72 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.361 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG11 ' HB1' ' A' ' 79' ' ' ALA . 12.8 p -78.25 -30.24 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.24 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -58.9 -46.9 86.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.455 0.702 . . . . 0.0 110.643 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.44 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.64 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.2 98.99 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -59.42 -23.95 63.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.907 0.483 . . . . 0.0 112.233 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 87.1 mtp -66.3 -22.76 66.3 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.753 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 73.6 p -81.18 -37.63 28.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -70.4 -34.5 72.61 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.274 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.561 ' HA ' ' O ' ' A' ' 132' ' ' VAL . 3.6 tpm_? -76.25 2.53 13.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.545 -168.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.33 -27.99 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.819 0.819 . . . . 0.0 108.899 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.49 -12.48 15.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.559 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 129' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 75' ' ' VAL . 30.3 mt-10 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.931 0.396 . . . . 0.0 111.727 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' HG22 ' A' ' 75' ' ' VAL . 17.9 ptmt -62.94 -24.43 67.87 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.324 1.05 . . . . 0.0 112.812 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.14 68.41 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.25 0.548 . . . . 0.0 110.235 174.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -36.89 58.08 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.481 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.696 ' HB ' ' CH2' ' A' ' 96' ' ' TRP . 6.0 m -61.05 -36.28 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.82 -33.13 75.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 120.788 0.328 . . . . 0.0 110.722 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -25.34 64.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.6 mmt -83.63 -47.2 11.51 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.68 -43.13 76.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.123 -1.398 . . . . 0.0 111.674 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.657 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -59.9 -45.11 93.56 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.744 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.61 64.82 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.4 tt -76.33 -23.2 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 122.46 1.124 . . . . 0.0 109.615 175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 18.8 ttm -66.73 -30.56 70.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.368 171.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.64 -58.51 3.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.539 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 27.0 t70 -117.83 118.64 34.63 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-O 120.879 0.371 . . . . 0.0 111.476 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 65.7 Cg_endo -96.8 14.93 0.83 Allowed 'Trans proline' 0 N--CA 1.437 -1.8 0 C-N-CA 122.679 2.252 . . . . 0.0 112.181 177.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -90.55 -38.91 12.87 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 121.804 0.812 . . . . 0.0 109.09 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.83 -3.57 59.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.29 176.143 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 86' ' ' PRO . . . -40.89 -43.02 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.836 1.654 . . . . 0.0 115.119 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.81 -55.54 4.42 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.594 1.158 . . . . 0.0 113.561 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 3.0 p30 -66.2 -25.65 67.03 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.07 -36.5 21.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -61.15 -46.67 89.57 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -23.34 60.15 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 7.3 tmtm? -83.26 -21.0 33.45 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.964 0.888 . . . . 0.0 109.422 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.696 ' CH2' ' HB ' ' A' ' 75' ' ' VAL . 15.0 t-105 -83.9 -35.47 24.06 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.23 86.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 108.941 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -52.94 -37.93 61.43 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 125.629 1.572 . . . . 0.0 110.863 172.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -78.96 -10.82 59.94 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.326 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.53 21.09 79.83 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 116.223 -0.444 . . . . 0.0 113.083 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.34 137.19 38.61 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.703 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.7 p -99.92 149.36 23.5 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.932 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.03 -33.22 62.47 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.837 0.855 . . . . 0.0 112.659 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.2 t -68.52 -28.41 66.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.836 0.351 . . . . 0.0 111.366 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.21 -21.1 29.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.529 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -54.4 -37.02 64.57 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.731 0.813 . . . . 0.0 111.536 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.0 t -67.91 -24.95 65.27 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.774 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 27.3 t70 -83.39 -32.17 26.3 Favored 'General case' 0 C--O 1.245 0.832 0 O-C-N 121.771 -0.581 . . . . 0.0 110.284 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.449 ' HB3' HG21 ' A' ' 75' ' ' VAL . 24.0 m-85 -70.86 -48.83 51.75 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.057 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.66 -41.38 13.43 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.342 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 74.6 mmtt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 122.297 1.046 . . . . 0.0 111.816 -174.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.432 -1.364 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -35.83 -63.06 0.39 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.747 1.619 . . . . 0.0 113.986 -173.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.32 -39.67 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.5 p -84.03 -36.98 12.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -63.94 -52.53 59.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.997 0.427 . . . . 0.0 110.353 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -34.4 77.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.83 -46.02 94.14 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.503 -0.38 . . . . 0.0 112.289 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -70.56 -23.22 62.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.427 -0.455 . . . . 0.0 112.2 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.9 ttp -66.15 -41.9 89.79 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.755 ' HA ' ' OD2' ' A' ' 130' ' ' ASP . 60.9 m -64.23 -19.84 65.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -74.29 -24.04 59.19 Favored 'General case' 0 C--O 1.191 -1.98 0 C-N-CA 116.611 -2.036 . . . . 0.0 109.716 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -82.06 -6.79 59.43 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.346 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.755 ' OD2' ' HA ' ' A' ' 127' ' ' THR . 26.6 m-20 -83.44 -13.18 55.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.113 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -127.65 -30.85 2.51 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.408 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 49.4 t . . . . . 0 C--N 1.313 -1.015 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 75' ' ' VAL . 48.5 mt-10 . . . . . 0 C--O 1.199 -1.572 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.72 -36.98 70.32 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -23.3 61.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.236 0.541 . . . . 0.0 110.757 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.58 -36.83 20.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.791 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 71' ' ' GLU . 75.0 t -54.77 -42.54 62.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 C-N-CA 123.988 0.915 . . . . 0.0 111.312 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.78 -24.6 67.82 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 62.1 mttp -80.78 -32.12 35.53 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mmt -74.03 -31.06 62.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.379 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -65.99 -41.65 90.8 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.487 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -65.09 -36.18 83.47 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HA ' ' OD1' ' A' ' 85' ' ' ASP . . . -66.89 -45.43 78.03 Favored 'General case' 0 C--O 1.171 -3.03 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.52 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.587 HD12 HG23 ' A' ' 121' ' ' VAL . 71.5 mt -65.38 -34.65 71.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.127 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.5 ttp -71.55 -30.1 65.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.635 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -103.07 -60.56 1.53 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.382 0.611 . . . . 0.0 111.104 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.481 ' OD1' ' HA ' ' A' ' 81' ' ' ALA . 1.3 m-20 -86.66 99.06 0.96 Allowed Pre-proline 0 C--N 1.288 -2.074 0 C-N-CA 125.73 1.612 . . . . 0.0 109.058 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 68.1 Cg_endo -76.34 -16.24 17.45 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 121.561 1.508 . . . . 0.0 113.22 -172.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -87.64 -12.1 46.53 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-O 120.773 0.321 . . . . 0.0 110.137 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.632 ' O ' ' HD3' ' A' ' 88' ' ' LYS . 9.0 tmtm? -89.19 -7.9 54.67 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.642 0.734 . . . . 0.0 110.069 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -60.46 -41.38 94.01 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -173.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -57.55 -52.94 63.35 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.331 0.653 . . . . 0.0 111.283 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.06 -50.42 15.2 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 125.243 1.417 . . . . 0.0 112.713 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' A' ' 82' ' ' ILE . 21.5 t -74.01 -29.58 25.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.433 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.7 -35.51 80.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.023 0.439 . . . . 0.0 110.497 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -33.98 31.99 Favored 'General case' 0 CA--C 1.475 -1.911 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.607 177.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.659 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 4.4 tmtt? -65.29 -31.29 72.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 101' ' ' TYR 0.258 42.6 m0 -77.52 -40.57 42.29 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.549 -1.26 . . . . 0.0 112.295 -178.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.61 78.2 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -46.64 -42.39 16.22 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 125.249 1.42 . . . . 0.0 113.223 174.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.535 ' HG2' ' OD2' ' A' ' 98' ' ' ASP . 46.5 mmtm -105.51 0.58 26.8 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.882 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.76 35.39 89.8 Favored Glycine 0 N--CA 1.433 -1.564 0 O-C-N 124.05 0.844 . . . . 0.0 112.898 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 99' ' ' LYS . 84.0 m-85 -55.53 113.36 1.41 Allowed 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 m -79.82 137.79 37.05 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.288 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.6 tp -68.07 79.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.667 0.746 . . . . 0.0 111.595 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t 174.45 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 126.868 2.067 . . . . 0.0 106.06 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -76.86 -33.28 57.88 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.2 tp -52.54 -29.07 23.43 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.429 -1.259 . . . . 0.0 111.091 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t -59.56 -35.68 74.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -84.2 -27.95 27.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.047 -1.061 . . . . 0.0 111.66 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.98 -41.85 99.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.899 0.38 . . . . 0.0 110.757 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.71 -23.65 29.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.742 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 125.239 1.416 . . . . 0.0 110.005 -176.793 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 CA--C 1.55 0.96 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.99 -64.34 0.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.859 1.664 . . . . 0.0 113.264 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.75 -39.96 78.59 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.587 HG23 HD12 ' A' ' 82' ' ' ILE . 3.3 p -78.26 -47.8 23.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.285 -0.566 . . . . 0.0 112.101 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.466 ' O ' ' HG3' ' A' ' 126' ' ' MET . 68.8 t80 -71.6 -55.23 8.17 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.657 -174.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.476 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 15.2 m120 -63.01 -32.22 73.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.004 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.95 -30.61 65.42 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.673 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -81.55 -23.18 37.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 122.663 -0.316 . . . . 0.0 111.261 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 87.9 mtp -50.79 -33.12 22.13 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.241 0.617 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -54.3 -22.06 10.94 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.777 1.631 . . . . 0.0 113.031 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -33.26 73.01 Favored 'General case' 0 C--O 1.193 -1.895 0 CA-C-O 121.231 0.539 . . . . 0.0 111.484 -176.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -60.83 -34.15 74.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 124.263 1.025 . . . . 0.0 113.053 -166.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.93 9.77 28.61 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.067 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -136.89 -37.41 0.66 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.472 1.109 . . . . 0.0 110.058 -177.246 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.188 0 N-CA-C 103.078 -2.934 . . . . 0.0 103.078 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 75' ' ' VAL . 1.7 pttm -47.98 -27.04 2.0 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 113.281 -1.781 . . . . 0.0 115.559 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.39 -32.33 48.76 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.566 -0.708 . . . . 0.0 111.31 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.94 -40.32 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.027 0.531 . . . . 0.0 111.178 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 109' ' ' PHE . 8.6 p -58.28 -27.72 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 121.413 0.625 . . . . 0.0 110.201 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 118' ' ' TYR . 53.3 mtmt -71.31 -17.86 62.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -38.68 88.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.0 mmm -78.68 -29.53 45.62 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.23 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -65.9 -44.65 84.63 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.002 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.4 -35.69 72.42 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 121.561 0.696 . . . . 0.0 110.294 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.94 -24.21 62.4 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.648 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 92' ' ' VAL . 72.5 mt -86.33 -42.22 15.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.791 -0.568 . . . . 0.0 109.635 173.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.629 ' SD ' ' HB2' ' A' ' 120' ' ' ARG . 10.0 tpt -51.59 -46.44 63.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.585 1.154 . . . . 0.0 111.679 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.36 -33.39 9.59 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.447 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 4.2 p-10 -131.74 70.3 81.15 Favored Pre-proline 0 C--O 1.253 1.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.047 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.17 11.7 1.16 Allowed 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 124.445 3.43 . . . . 0.0 115.415 -168.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -65.45 -27.13 68.29 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.287 0.565 . . . . 0.0 110.521 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 9.3 ptpp? -88.42 -7.36 56.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.811 -178.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.08 60.17 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -165.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.7 -56.56 17.93 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.48 -48.15 66.09 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.414 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.445 ' CG1' HD11 ' A' ' 82' ' ' ILE . 11.8 t -69.97 -33.11 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.607 -171.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -69.27 -50.99 41.9 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 121.277 0.56 . . . . 0.0 109.806 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -43.57 95.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.821 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 tmmm? -77.49 -17.51 57.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -82.33 -33.7 28.84 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.751 -0.593 . . . . 0.0 109.492 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.85 88.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.071 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.606 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.8 p-10 -80.96 -8.82 59.85 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.383 0.611 . . . . 0.0 109.937 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.681 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -83.81 -14.52 51.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.38 22.68 28.68 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.391 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -88.12 113.43 23.74 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.507 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.479 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 17.1 m -90.09 145.5 25.02 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 44.8 tp -42.72 -45.19 4.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.778 1.231 . . . . 0.0 112.56 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -67.02 -26.72 66.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.013 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -84.2 -34.78 23.86 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.13 -18.28 63.25 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.267 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.0 m -66.92 -25.63 66.46 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.699 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.76 -41.29 30.98 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.538 ' HB3' HG11 ' A' ' 75' ' ' VAL . 88.1 m-85 -65.95 -49.09 69.13 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.304 -178.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.25 22.64 0.98 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 123.444 0.698 . . . . 0.0 112.602 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--O 1.259 1.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 177.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CE2' ' HD2' ' A' ' 76' ' ' LYS . 94.5 m-85 . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.995 0.426 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -49.73 -42.2 45.59 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 124.352 1.061 . . . . 0.0 112.744 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.629 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.6 mmp_? -65.49 -48.77 71.47 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.528 HG11 ' HB1' ' A' ' 79' ' ' ALA . 7.1 p -70.72 -37.37 68.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.534 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.422 ' O ' ' HG3' ' A' ' 126' ' ' MET . 66.1 t80 -70.79 -54.68 10.75 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.906 0.384 . . . . 0.0 110.215 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.49 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 2.8 t-20 -58.17 -37.5 74.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.591 0.756 . . . . 0.0 110.989 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.65 -45.01 79.71 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.636 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -59.18 -26.21 64.6 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.634 0.774 . . . . 0.0 110.999 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 88.5 mtp -56.26 -22.77 31.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.914 0.886 . . . . 0.0 112.373 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.4 p -64.53 -25.66 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.1 OUTLIER -74.11 -13.87 60.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.126 0.489 . . . . 0.0 110.795 -177.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.543 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 32.2 ttt85 -79.94 13.59 2.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.532 1.158 . . . . 0.0 111.779 -173.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.0 -28.82 57.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 168.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -109.8 -36.09 6.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.238 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.543 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 7.0 p . . . . . 0 C--O 1.248 1.011 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 . . . . . 0 C--O 1.205 -1.254 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -51.45 -35.49 39.83 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.515 1.126 . . . . 0.0 112.843 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.25 -20.78 20.8 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.091 0.472 . . . . 0.0 112.012 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.22 11.68 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.21 -30.62 35.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.76 0 C-N-CA 123.526 0.731 . . . . 0.0 112.698 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -66.99 -26.24 66.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.342 0.591 . . . . 0.0 111.728 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.35 -34.97 36.15 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.9 mtt -68.21 -37.27 80.7 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.306 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -54.49 -46.53 73.45 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.177 0.991 . . . . 0.0 111.585 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.669 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -72.3 -28.54 63.16 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.596 178.109 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -67.65 -23.25 65.31 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 121' ' ' VAL . 1.8 mp -86.5 -57.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.669 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 25.6 ptt? -67.04 -27.44 67.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -170.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.49 20.53 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.995 0.426 . . . . 0.0 110.682 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.663 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -136.94 67.5 56.7 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.99 -22.02 52.97 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 123.354 2.702 . . . . 0.0 115.536 -170.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 p -74.26 -27.15 60.62 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -87.79 -7.58 57.11 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.928 0.871 . . . . 0.0 110.859 -177.101 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HA ' HG13 ' A' ' 82' ' ' ILE . . . -60.13 -42.66 95.31 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -167.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.2 -41.11 90.62 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.328 0.513 . . . . 0.0 111.857 -173.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.23 -35.48 71.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.516 0.674 . . . . 0.0 110.282 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.52 -30.12 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.904 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.08 -44.69 96.13 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -22.94 61.43 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.487 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.569 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 6.1 tmtm? -77.64 -34.15 53.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.438 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.4 m0 -73.65 -36.26 65.37 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.91 85.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -52.59 -31.97 38.93 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.429 0.692 . . . . 0.0 111.813 172.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HZ2' ' CG ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -102.47 3.27 37.45 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.535 -0.728 . . . . 0.0 111.506 -178.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.94 75.81 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.275 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -74.33 131.64 41.33 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.85 0.833 . . . . 0.0 111.996 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.548 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 9.4 t -112.28 172.3 6.99 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.646 ' H ' HD22 ' A' ' 103' ' ' LEU . 1.6 mm? -53.99 -57.03 12.55 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.792 0.837 . . . . 0.0 111.284 -173.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 104' ' ' THR . 1.4 t -58.92 -31.0 68.24 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.03 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.87 -36.16 21.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.016 0.436 . . . . 0.0 110.877 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.18 -34.56 78.3 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -58.42 -35.24 71.77 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 16.2 t70 -77.46 -27.4 52.07 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.246 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -70.45 -20.63 62.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.119 0.485 . . . . 0.0 110.167 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.38 -50.14 6.51 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 108' ' ' ASP . 20.9 ttmm . . . . . 0 C--O 1.257 1.477 0 C-N-CA 125.502 1.521 . . . . 0.0 111.833 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.43 -1.438 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -54.2 -41.92 69.15 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.116 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.415 ' H ' ' HG3' ' A' ' 120' ' ' ARG . 51.8 mtt85 -49.98 -53.48 26.22 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.88 1.272 . . . . 0.0 111.241 176.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.457 HG11 ' HB1' ' A' ' 79' ' ' ALA . 8.1 p -71.97 -32.42 44.03 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.83 -49.3 68.7 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.7 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.56 -46.81 87.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.309 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.22 -29.47 75.37 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.71 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.498 ' O ' ' HD1' ' A' ' 128' ' ' TYR . 24.9 t80 -72.34 -31.54 65.73 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.641 -0.329 . . . . 0.0 110.354 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.512 ' HA ' HD11 ' A' ' 103' ' ' LEU . 87.9 mtp -54.3 -30.23 50.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.155 0.582 . . . . 0.0 112.311 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -63.38 -18.73 63.99 Favored 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 123.892 0.877 . . . . 0.0 111.76 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.548 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -72.52 -12.87 61.26 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.849 -1.157 . . . . 0.0 110.838 -179.173 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.7 mmm180 -64.46 -21.34 66.63 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.23 6.85 31.12 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.511 0.672 . . . . 0.0 110.129 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -105.39 -38.66 6.41 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.156 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 177.073 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.619 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.44 173.3 14.71 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.354 2.036 . . . . 0.0 110.607 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.28 165.26 34.81 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -153.37 160.1 42.58 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.8 p -73.09 125.67 28.21 Favored 'General case' 0 N--CA 1.428 -1.531 0 O-C-N 123.099 0.249 . . . . 0.0 110.615 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.53 -16.75 26.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.874 0.87 . . . . 0.0 112.536 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -52.32 -26.24 11.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.356 1.062 . . . . 0.0 112.231 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -80.05 64.79 5.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.74 0.781 . . . . 0.0 109.575 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.24 76.72 7.6 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.15 0.976 . . . . 0.0 108.723 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -146.08 49.99 1.18 Allowed 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -25.57 68.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.412 -176.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -55.35 -31.78 62.01 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.416 172.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 77' ' ' LYS . . . -79.1 -20.03 49.72 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.302 -0.249 . . . . 0.0 110.777 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.02 17.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.471 HG13 ' HZ2' ' A' ' 96' ' ' TRP . 51.1 t -56.82 -44.11 81.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.45 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HG2' HD23 ' A' ' 110' ' ' LEU . 67.6 mttm -59.61 -25.31 64.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 48.5 mmtm -75.6 -42.79 50.92 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.3 mtt -62.34 -48.3 80.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -55.01 -52.89 61.74 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.608 -177.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -65.94 -22.38 66.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.82 -41.52 17.44 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.891 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.502 HD12 ' HE2' ' A' ' 88' ' ' LYS . 1.7 mp -65.77 -37.71 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 80' ' ' LYS . 25.4 ptm -69.84 -13.54 62.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -95.95 -61.8 1.39 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.16 132.42 23.27 Favored Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.326 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -94.67 10.05 1.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 122.755 2.304 . . . . 0.0 111.86 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -77.7 -51.99 9.69 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.328 0.585 . . . . 0.0 110.125 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HE2' HD12 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -87.24 -7.08 58.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.482 0.658 . . . . 0.0 110.544 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.87 -44.7 74.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.612 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 38.4 t70 -65.19 -35.01 79.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -175.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 18.8 t70 -60.26 -38.36 83.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.728 176.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.6 t -75.53 -28.16 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.612 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 22.1 m-30 -63.54 -45.48 90.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.652 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -67.73 -36.87 81.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.661 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 91' ' ' ASP . 42.7 mmtm -56.39 -31.64 64.05 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 123.645 0.591 . . . . 0.0 111.521 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.52 ' CH2' HD13 ' A' ' 106' ' ' LEU . 4.6 m95 -68.54 -37.46 79.99 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.64 -32.78 41.68 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 121.637 0.732 . . . . 0.0 109.029 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -22.92 62.9 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.077 1.351 . . . . 0.0 111.948 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -106.04 4.66 29.52 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.95 -6.24 81.84 Favored Glycine 0 C--N 1.311 -0.832 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.833 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.422 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 85.4 m-85 -61.1 134.65 57.27 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.989 0.395 . . . . 0.0 110.176 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.5 m -127.43 89.44 2.96 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.9 tp 31.8 -79.68 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.127 2.571 . . . . 0.0 116.905 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -59.16 -22.44 60.94 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.427 0.691 . . . . 0.0 111.652 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.443 ' HG2' ' CE2' ' A' ' 109' ' ' PHE . 62.0 tt0 -62.18 -23.34 66.55 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.505 1.122 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.52 HD13 ' CH2' ' A' ' 96' ' ' TRP . 64.4 tp -62.56 -22.9 66.69 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.38 0.672 . . . . 0.0 110.646 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -65.44 -28.02 68.94 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.453 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -83.59 -36.3 24.03 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.263 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.443 ' CE2' ' HG2' ' A' ' 105' ' ' GLN . 21.3 m-85 -69.38 -44.62 71.13 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.889 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 118' ' ' TYR . 70.3 mt -99.52 -22.49 15.46 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 68.35 29.77 5.74 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.374 1.083 . . . . 0.0 110.102 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 p -76.01 45.28 0.34 Allowed 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 126.255 1.822 . . . . 0.0 112.3 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.464 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -114.09 -32.58 5.98 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 172.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.1 m -82.95 165.64 19.54 Favored 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 102.03 3.85 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.71 169.87 19.36 Favored Glycine 0 N--CA 1.422 -2.266 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -70.9 -18.47 62.67 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.606 ' HB3' HD13 ' A' ' 110' ' ' LEU . 36.9 m-85 -72.1 25.47 0.05 OUTLIER 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -176.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -53.44 -63.18 1.23 Allowed 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.024 0.929 . . . . 0.0 113.282 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -55.02 -41.32 71.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.959 0.903 . . . . 0.0 112.268 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -74.67 -38.32 44.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.807 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -62.73 -48.36 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -40.68 94.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.684 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.17 -42.71 97.29 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.961 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -71.86 -22.93 61.45 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 88.3 mtp -59.41 -39.97 85.15 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.749 -0.595 . . . . 0.0 109.625 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.504 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 11.3 m -68.01 -18.53 64.74 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 114.526 -1.215 . . . . 0.0 113.331 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CB ' ' HB3' ' A' ' 93' ' ' TYR . 2.9 p90 -69.27 -25.69 64.39 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 117.77 -1.572 . . . . 0.0 111.151 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.558 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -76.45 -9.44 58.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 9.7 m-20 -83.78 -15.41 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -109.76 -37.63 5.6 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.558 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 5.2 m . . . . . 0 C--N 1.325 -0.481 0 C-N-CA 123.73 0.812 . . . . 0.0 110.417 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.631 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.95 46.93 1.29 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 122.387 2.058 . . . . 0.0 109.184 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.89 -154.89 16.45 Favored Glycine 0 N--CA 1.411 -2.999 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.2 mt 68.36 -67.64 0.19 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.661 1.584 . . . . 0.0 112.369 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 p -85.62 -36.78 20.13 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 123.685 0.794 . . . . 0.0 112.043 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.54 -76.3 0.61 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.998 -1.001 . . . . 0.0 113.379 -172.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.24 -33.32 69.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 121.63 0.729 . . . . 0.0 111.262 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -90.84 21.1 4.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.467 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 40.7 mmtm 81.25 118.95 0.05 Allowed 'General case' 0 C--O 1.247 0.971 0 C-N-CA 126.375 1.87 . . . . 0.0 115.19 169.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -82.7 130.0 35.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 75' ' ' VAL 0.347 0.0 OUTLIER 46.84 58.41 4.75 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -177.374 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -68.42 -27.09 65.89 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.713 174.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.724 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -74.33 -34.62 63.48 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.53 85.91 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 120.998 0.427 . . . . 0.0 109.859 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 71' ' ' GLU . 55.6 t -60.93 -43.52 96.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.503 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 57.1 mtpt -70.98 -22.39 62.19 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 64.0 mttp -61.81 -46.52 89.14 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.4 mtp -76.01 -37.58 58.27 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.251 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . . . -60.08 -45.64 92.23 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.073 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -33.85 72.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.558 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.62 -27.3 62.07 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.357 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.409 HD11 HG11 ' A' ' 92' ' ' VAL . 74.0 mt -76.62 -35.33 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.583 0.706 . . . . 0.0 109.442 178.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.44 -32.67 73.57 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.766 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.12 -37.1 16.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.489 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.563 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 1.6 t70 -136.19 116.02 11.11 Favored Pre-proline 0 N--CA 1.441 -0.883 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.484 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -91.12 3.66 4.38 Favored 'Trans proline' 0 N--CA 1.444 -1.433 0 C-N-CA 122.753 2.302 . . . . 0.0 113.677 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -69.24 -47.66 64.1 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.017 0.437 . . . . 0.0 111.019 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.66 -3.57 59.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.492 0.663 . . . . 0.0 111.926 -177.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.71 -47.88 15.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.726 -1.124 . . . . 0.0 113.353 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.68 -40.91 92.86 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.564 0.221 . . . . 0.0 111.458 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.58 -41.03 69.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.453 0.701 . . . . 0.0 109.478 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 82' ' ' ILE . 53.1 t -75.31 -34.71 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.856 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HD1' ' A' ' 125' ' ' TYR . 18.6 m-30 -63.71 -44.85 92.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -40.6 94.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.727 176.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.2 tmtm? -69.6 -34.09 73.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.921 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.429 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.8 m0 -72.3 -31.39 65.66 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 122.152 -0.342 . . . . 0.0 111.352 176.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.81 83.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.47 ' CG ' ' HZ3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -57.34 -25.11 58.89 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.524 1.13 . . . . 0.0 111.514 173.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HZ3' ' CG ' ' A' ' 98' ' ' ASP . 12.8 mmtm -105.72 3.07 28.55 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.68 16.11 80.85 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.286 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 96' ' ' TRP . 66.4 m-85 -64.81 131.0 45.58 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.062 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.527 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 20.8 p -114.39 143.82 44.29 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.162 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -47.83 -40.91 22.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.265 1.026 . . . . 0.0 112.264 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 t -63.94 -37.4 87.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.983 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -84.75 -32.46 23.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 3.2 tm? -58.18 -35.44 71.6 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.023 0.929 . . . . 0.0 109.326 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.9 m -57.87 -35.8 71.47 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.26 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.74 -36.73 23.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 61.6 m-85 -58.08 -49.18 77.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.539 0.685 . . . . 0.0 110.687 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.37 -34.21 36.64 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.683 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? 67.09 33.78 5.44 Favored 'General case' 0 C--O 1.249 1.061 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 8.3 p -79.31 -64.23 1.23 Allowed 'General case' 0 N--CA 1.423 -1.813 0 CA-C-N 113.525 -1.67 . . . . 0.0 113.549 -172.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 86.57 175.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.588 1.955 . . . . 0.0 109.265 -169.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -76.38 11.55 1.53 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.942 0.897 . . . . 0.0 113.248 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -169.15 146.13 3.54 Favored 'General case' 0 C--O 1.246 0.899 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.502 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . 128.84 -121.89 3.75 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 118.7 -1.714 . . . . 0.0 115.964 172.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.602 ' HD2' ' H ' ' A' ' 117' ' ' LYS . 1.1 mptt -70.39 -62.17 1.49 Allowed 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 122.181 0.991 . . . . 0.0 110.813 -171.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.456 ' HB2' ' HB3' ' A' ' 112' ' ' SER . 81.0 m-85 -92.53 26.84 2.49 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.112 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 116' ' ' GLY . 11.8 t70 -45.27 -48.11 12.91 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 126.312 1.845 . . . . 0.0 110.545 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -59.81 -56.41 22.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.942 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.14 -36.63 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.969 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -71.84 -53.51 13.04 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -36.39 80.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.26 76.62 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.435 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.501 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 50.2 t80 -59.2 -35.59 73.85 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.369 0.668 . . . . 0.0 112.158 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -49.31 -36.47 21.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.36 0.664 . . . . 0.0 112.051 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -58.81 -19.65 43.09 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.237 1.015 . . . . 0.0 112.025 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.7 OUTLIER -69.87 -13.58 62.33 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.737 -0.602 . . . . 0.0 110.481 -178.499 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmm180 -65.29 -23.64 67.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.43 20.37 19.01 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.978 0.894 . . . . 0.0 108.657 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -122.89 -39.03 2.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.614 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 63.0 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.264 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.648 ' N ' ' HG1' ' A' ' 65' ' ' THR . . . . . . . . 0 CA--C 1.492 -1.348 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.45 100.65 0.68 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.185 1.923 . . . . 0.0 110.651 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.13 -81.11 1.55 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.96 127.11 32.01 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.457 0.646 . . . . 0.0 109.903 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.648 ' HG1' ' N ' ' A' ' 61' ' ' GLY . 87.1 m -129.69 105.92 8.37 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.662 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.22 156.21 42.21 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.9 tp -144.13 8.23 1.41 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.173 0.987 . . . . 0.0 108.807 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -116.14 33.02 5.76 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.203 -173.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.579 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -101.69 -169.19 1.65 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -96.47 16.21 19.27 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.54 ' OE1' ' HB2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.28 -42.35 72.19 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.947 -0.471 . . . . 0.0 111.589 -174.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HG2' ' OE2' ' A' ' 71' ' ' GLU . 2.0 ptpp? -59.81 -36.12 76.12 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.162 0.506 . . . . 0.0 111.252 174.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.34 -18.9 61.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.913 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.11 -53.33 5.34 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.49 -36.78 66.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.996 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 66.7 mttm -56.0 -31.01 62.68 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -41.17 79.35 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.3 -42.62 75.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.57 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -60.19 -52.13 66.61 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.656 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -21.28 64.85 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 120.88 0.371 . . . . 0.0 111.88 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.19 65.18 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.925 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.29 -35.58 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.703 0.763 . . . . 0.0 109.407 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.21 -29.2 63.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.468 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.46 -54.85 3.11 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.527 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.7 t70 -110.73 126.8 28.06 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.922 -175.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -93.1 -7.83 2.48 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 122.581 2.187 . . . . 0.0 113.465 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -66.48 -42.9 86.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 121.153 0.501 . . . . 0.0 111.99 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -87.68 -4.91 58.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.23 -50.26 39.3 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.08 -46.72 45.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.565 0.746 . . . . 0.0 112.147 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 2.7 t70 -62.17 -42.81 99.63 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.626 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.17 -35.87 65.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.733 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.76 -52.87 62.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.27 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 5.1 pp0? -66.75 -31.87 72.79 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.179 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 3.3 ttmp? -72.74 -43.11 63.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.926 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -61.93 -35.45 78.46 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.652 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.93 82.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.392 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.54 -30.02 61.59 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.238 0.542 . . . . 0.0 110.553 -178.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -82.99 0.04 46.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.717 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.47 14.45 78.37 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.914 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.01 114.09 17.67 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.396 1.093 . . . . 0.0 110.952 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.524 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.6 p -94.18 156.24 16.65 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.83 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.9 tp -48.94 -41.73 34.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.803 0.841 . . . . 0.0 111.675 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.7 t -66.19 -31.77 72.8 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.794 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.39 -38.15 42.38 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.66 -31.64 69.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.557 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.7 m -59.15 -33.85 71.39 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.576 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.462 ' HA ' ' HZ2' ' A' ' 111' ' ' LYS . 30.6 t70 -70.72 -45.82 64.19 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.783 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.21 -34.67 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.284 0.99 . . . . 0.0 110.844 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.65 -42.13 18.56 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.755 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' A' ' 111' ' ' LYS . 3.3 ttpm? -48.24 115.08 1.08 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.062 0.945 . . . . 0.0 111.872 176.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.0 m -154.58 165.81 35.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -75.13 79.6 2.28 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 121.464 0.649 . . . . 0.0 112.651 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.5 t -167.05 179.87 4.98 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -81.41 158.75 24.51 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -65.33 88.29 0.1 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.54 -20.9 19.81 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 123.991 0.916 . . . . 0.0 110.573 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -75.13 26.65 0.09 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.346 1.058 . . . . 0.0 113.722 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -50.24 -63.13 1.21 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.16 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.57 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.7 p -85.14 -48.26 16.48 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.243 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.265 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -79.84 -54.65 5.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -64.56 -36.69 85.02 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 123.658 0.783 . . . . 0.0 109.935 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.79 -38.95 86.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.983 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.41 -26.81 64.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 122.672 -0.311 . . . . 0.0 111.002 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 48.6 ttm -51.77 -36.45 47.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.82 0.848 . . . . 0.0 112.059 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.6 m -60.16 -18.07 45.28 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 124.244 1.018 . . . . 0.0 112.826 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.524 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -67.32 -16.7 64.41 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 120.713 -1.242 . . . . 0.0 110.613 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -75.41 -12.33 60.23 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.279 0.631 . . . . 0.0 112.042 -178.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.02 -6.96 58.95 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -118.92 -36.34 3.45 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.65 -178.708 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.712 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -80.3 -175.32 2.64 Favored 'Trans proline' 0 C--O 1.243 0.745 0 C-N-CA 122.116 1.877 . . . . 0.0 110.139 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.0 71.98 1.89 Allowed Glycine 0 C--O 1.218 -0.863 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -141.2 -35.71 0.46 Allowed 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.032 0.444 . . . . 0.0 110.205 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.5 m -143.92 -75.03 0.25 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.134 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -103.42 135.99 44.0 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -83.13 98.8 9.52 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 120.733 0.301 . . . . 0.0 111.051 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 58.2 -171.15 0.11 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 111.369 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 63.7 mttm -148.1 75.32 1.33 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.187 0.518 . . . . 0.0 109.828 175.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -72.06 -15.44 62.02 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.75 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.7 tp10 -51.62 -30.66 22.2 Favored 'General case' 0 C--O 1.189 -2.086 0 C-N-CA 124.985 1.314 . . . . 0.0 112.494 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 13.7 ptpt -55.31 -33.36 63.23 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.42 -23.19 53.98 Favored 'General case' 0 C--O 1.263 1.787 0 CA-C-O 121.583 0.706 . . . . 0.0 110.518 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -34.41 22.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.782 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 71' ' ' GLU . 89.5 t -54.98 -55.49 15.77 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.588 0 O-C-N 123.753 0.658 . . . . 0.0 110.033 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.44 -27.98 67.93 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -44.62 56.31 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -79.9 -25.84 40.43 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.181 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.295 0.638 . . . . 0.0 109.949 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -37.32 85.77 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.591 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.16 68.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.468 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.22 -38.81 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-O 120.966 0.412 . . . . 0.0 111.225 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.0 ttp -65.47 -25.42 67.49 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 111.666 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.21 -38.83 16.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.511 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -149.28 122.29 4.45 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.259 0.623 . . . . 0.0 110.729 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.23 12.17 2.36 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.769 2.313 . . . . 0.0 114.009 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -69.44 -32.84 72.04 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.721 -0.612 . . . . 0.0 111.685 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -88.38 -7.05 57.29 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 121.865 -0.522 . . . . 0.0 111.342 178.612 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.54 ' HB1' ' CZ ' ' A' ' 93' ' ' TYR . . . -47.73 -59.51 3.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -46.97 -49.75 20.18 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.04 -35.3 71.92 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.782 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 57.9 t -67.07 -33.63 64.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.54 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 17.1 m-30 -67.9 -42.25 81.44 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -45.7 86.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.745 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.99 -17.57 63.29 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.851 -179.313 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.414 ' NE1' HG22 ' A' ' 75' ' ' VAL . 12.3 m0 -81.59 -27.52 34.23 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.493 0.187 . . . . 0.0 111.054 174.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.64 92.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.7 -33.19 66.21 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.8 1.24 . . . . 0.0 111.276 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 44.9 mmtm -82.25 -3.63 55.55 Favored 'General case' 0 C--O 1.255 1.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.935 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.34 35.94 18.89 Favored Glycine 0 N--CA 1.432 -1.606 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.913 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -104.76 117.05 33.11 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.612 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.54 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 24.7 m -109.31 89.41 2.99 Favored 'General case' 0 N--CA 1.424 -1.754 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.695 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.6 tp 57.13 -78.23 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -63.39 -24.92 68.05 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 124.573 1.149 . . . . 0.0 113.243 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -63.22 -21.23 66.09 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.674 0.789 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 125' ' ' TYR . 18.0 tp -64.12 -18.59 64.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.974 0.416 . . . . 0.0 110.573 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.2 m -63.14 -33.25 75.06 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.141 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.32 -39.32 33.1 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.464 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 16.8 m-85 -67.08 -46.5 74.07 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.168 -177.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 118' ' ' TYR . 7.0 mp -81.68 -32.75 31.62 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.025 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 74.56 28.89 1.2 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 108.279 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.2 m -141.18 141.76 34.07 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.234 -1.348 . . . . 0.0 107.58 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HG3' ' OH ' ' A' ' 122' ' ' TYR . 52.2 tttp -142.02 101.94 4.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.3 m 73.09 -48.97 0.69 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.32 1.048 . . . . 0.0 110.902 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -105.46 125.03 50.53 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.61 -171.17 37.52 Favored Glycine 0 N--CA 1.432 -1.61 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 119' ' ' ASP 0.286 4.3 mmmp? -92.76 -18.84 22.42 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.405 ' HB3' HD23 ' A' ' 110' ' ' LEU . 99.3 m-85 -81.27 26.77 0.44 Allowed 'General case' 0 C--N 1.293 -1.874 0 O-C-N 123.964 0.79 . . . . 0.0 110.749 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -36.99 -63.5 0.42 Allowed 'General case' 0 C--O 1.247 0.931 0 C-N-CA 126.63 1.972 . . . . 0.0 114.439 -178.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -65.09 -41.2 95.21 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -75.28 -36.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.032 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.484 ' OH ' ' HG3' ' A' ' 113' ' ' LYS . 76.6 t80 -65.81 -57.83 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.085 0.469 . . . . 0.0 110.694 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.92 -23.46 61.47 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.872 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.33 -33.93 68.7 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.536 ' CD2' HD22 ' A' ' 106' ' ' LEU . 57.4 t80 -63.92 -32.15 73.58 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.632 0.773 . . . . 0.0 110.832 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -48.98 -39.06 25.09 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 0.0 112.412 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -55.19 -20.17 9.82 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.966 1.307 . . . . 0.0 113.151 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.54 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 1.1 p90 -74.5 -14.07 60.77 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.185 -0.947 . . . . 0.0 110.503 -177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -64.59 -20.21 66.12 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.77 2.85 56.53 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 123.616 0.573 . . . . 0.0 111.472 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 128' ' ' TYR . 26.6 m-85 -107.16 -38.69 5.92 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.282 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -178.393 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.409 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . . . . . . 0 N--CA 1.442 -0.905 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -98.82 31.24 0.12 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.326 2.684 . . . . 0.0 111.085 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.73 172.73 15.18 Favored Glycine 0 N--CA 1.435 -1.431 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -82.2 -39.42 23.16 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.829 0.315 . . . . 0.0 110.91 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.6 m -62.65 -50.03 72.82 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.479 0.656 . . . . 0.0 110.12 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 30.4 t70 -113.74 81.02 1.45 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' H ' ' A' ' 67' ' ' LEU . 2.3 pt? -90.85 0.89 57.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.642 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -78.49 167.44 21.29 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.823 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.73 11.21 1.63 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.229 176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -92.75 -159.12 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.566 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' OE1' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -44.97 -48.23 11.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -178.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -66.0 -27.84 68.43 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.255 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 -19.41 24.1 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.687 0.756 . . . . 0.0 110.031 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.35 -46.1 18.31 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.552 0.741 . . . . 0.0 110.55 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.28 -34.2 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.524 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 62.6 mttp -61.03 -27.49 68.37 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.831 0.348 . . . . 0.0 111.398 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -65.67 -43.62 88.76 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.767 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -80.74 -32.5 35.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.401 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.549 ' O ' HG21 ' A' ' 121' ' ' VAL . . . -53.44 -59.29 4.77 Favored 'General case' 0 C--O 1.205 -1.281 0 O-C-N 123.772 0.67 . . . . 0.0 110.196 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.1 pptp? -63.5 -22.29 66.81 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.439 0.638 . . . . 0.0 111.988 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.04 44.3 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 120.981 0.42 . . . . 0.0 110.161 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 76.8 mt -83.23 -31.23 8.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 117' ' ' LYS . 11.8 ttt -44.69 -42.29 7.45 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.997 1.319 . . . . 0.0 110.761 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.27 -61.5 1.64 Allowed 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.113 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 6.6 t70 -99.0 118.09 63.28 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.72 -0.7 4.45 Favored 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.877 2.385 . . . . 0.0 112.993 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -75.29 -50.19 16.85 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HB3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -70.28 -6.04 32.1 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.844 0.83 . . . . 0.0 112.488 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -57.06 -36.12 70.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.926 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.32 -50.54 72.6 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 122.811 0.444 . . . . 0.0 111.8 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.35 -50.58 64.73 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.2 0.6 . . . . 0.0 111.397 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.92 -33.33 60.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.639 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 3.0 m-85 -64.24 -37.04 86.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.086 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.703 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -73.78 -40.86 63.13 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.997 177.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 8.8 tmtt? -60.07 -33.6 72.29 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.915 0.76 . . . . 0.0 109.442 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 101' ' ' TYR . 12.1 m0 -68.39 -47.9 66.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.739 -0.785 . . . . 0.0 111.961 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.05 76.94 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.013 0.435 . . . . 0.0 110.357 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -51.81 -38.91 57.63 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.993 1.717 . . . . 0.0 113.152 178.25 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.645 ' HB2' ' CE1' ' A' ' 101' ' ' TYR . 27.8 mmtm -106.67 2.7 26.06 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.01 70.38 Favored Glycine 0 N--CA 1.431 -1.666 0 C-N-CA 120.308 -0.948 . . . . 0.0 112.684 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.645 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 96.6 m-85 -57.09 114.2 2.03 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.2 m -95.34 142.12 28.11 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.074 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -45.42 -38.23 5.84 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.93 1.292 . . . . 0.0 113.643 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.7 t -64.67 -30.51 71.53 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.2 -28.63 25.31 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.508 ' HG ' ' CE2' ' A' ' 125' ' ' TYR . 1.6 tm? -61.13 -39.65 90.82 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.7 t -64.0 -19.04 64.88 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.245 0.618 . . . . 0.0 111.949 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.86 -35.72 29.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.505 0.669 . . . . 0.0 109.287 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 6.8 m-85 -71.72 -48.02 49.99 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.169 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD13 HD13 ' A' ' 106' ' ' LEU . 8.9 mp -97.58 34.34 1.86 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.033 0.933 . . . . 0.0 110.312 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 111' ' ' LYS . 39.4 ttmt -60.38 -44.44 95.64 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.372 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.4 m -61.35 154.02 25.12 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -128.7 135.72 49.63 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.28 0.562 . . . . 0.0 111.454 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.49 ' HB ' ' CB ' ' A' ' 117' ' ' LYS . 24.2 m -154.95 136.38 14.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -65.51 115.33 5.63 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.822 0.701 . . . . 0.0 111.74 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.52 -5.2 73.85 Favored Glycine 0 N--CA 1.445 -0.707 0 O-C-N 123.838 0.711 . . . . 0.0 111.642 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.49 ' CB ' ' HB ' ' A' ' 114' ' ' THR . 3.0 tmtp? -93.58 -52.01 4.68 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.013 0.435 . . . . 0.0 111.239 -173.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -110.38 -31.53 7.26 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.782 -173.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -62.79 1.43 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.23 0.956 . . . . 0.0 111.828 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -47.67 -46.37 29.08 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.664 0.602 . . . . 0.0 111.355 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.549 HG21 ' O ' ' A' ' 79' ' ' ALA 0.345 12.7 t -66.16 -54.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.379 0.0 OUTLIER -85.03 -21.16 29.53 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 116.884 -1.927 . . . . 0.0 114.867 -177.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.14 76.7 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.28 50.05 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.508 ' CE2' ' HG ' ' A' ' 106' ' ' LEU . 48.9 t80 -60.89 -44.42 97.12 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.2 ptp -55.12 -22.79 18.05 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 m -59.6 -19.45 48.99 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.84 0.856 . . . . 0.0 111.226 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.32 -15.31 63.61 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.634 -0.666 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 6.2 mmm180 -66.69 -26.24 66.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.49 9.07 41.4 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.413 0.625 . . . . 0.0 109.928 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -120.75 -36.73 3.11 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.738 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.77 179.583 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 100' ' ' GLY . . . . . . . . 0 CA--C 1.501 -0.795 0 CA-C-O 119.053 -0.86 . . . . 0.0 111.638 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.49 -42.24 10.12 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 122.903 2.402 . . . . 0.0 113.513 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.76 131.42 34.22 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.28 69.48 2.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.923 0.868 . . . . 0.0 112.674 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -154.56 85.27 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -148.49 -169.04 3.25 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.73 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt 71.06 -66.76 0.28 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.172 1.389 . . . . 0.0 110.003 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -90.26 76.69 6.78 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -80.55 102.19 9.61 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.465 -170.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -96.59 175.68 6.3 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.41 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 75' ' ' VAL . 36.6 mt-10 72.71 2.21 4.28 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -53.31 -39.8 64.31 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.45 -18.87 59.76 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.154 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -33.89 22.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 71' ' ' GLU . 71.8 t -53.91 -37.8 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.279 0.632 . . . . 0.0 110.608 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 110' ' ' LEU . 35.8 mtmt -65.85 -17.95 65.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.61 -41.62 62.56 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.468 ' O ' HG12 ' A' ' 82' ' ' ILE . 97.0 mmm -77.68 -33.64 53.24 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.816 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -59.91 -37.33 79.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -60.03 -38.68 83.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.158 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.59 -30.85 64.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.008 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 78' ' ' MET . 46.7 mm -72.38 -38.24 60.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.742 0.782 . . . . 0.0 108.901 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.4 ttm -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.383 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.53 -55.56 4.6 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.888 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.588 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.0 t70 -122.77 125.34 26.4 Favored Pre-proline 0 C--O 1.247 0.97 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.292 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -93.15 -1.92 3.46 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 122.843 2.362 . . . . 0.0 113.418 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -71.59 -45.52 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -86.72 -5.63 59.06 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.622 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 82' ' ' ILE . . . -54.75 -37.69 66.24 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.45 -49.0 68.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.381 0.426 . . . . 0.0 111.925 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -53.83 -47.4 70.96 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.477 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.0 t -71.44 -29.97 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.083 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.636 -174.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 20.4 m-30 -66.06 -39.85 90.42 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.351 0.595 . . . . 0.0 109.752 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -30.42 45.8 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.862 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.618 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 4.8 tmtm? -71.17 -21.72 62.13 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 27.1 m0 -82.49 -31.32 29.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.908 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.49 87.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.187 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.511 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 2.4 p30 -67.27 -30.37 70.23 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.078 0.466 . . . . 0.0 111.402 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -80.46 -5.34 56.44 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.663 0.744 . . . . 0.0 110.42 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.41 ' O ' ' HA3' ' A' ' 61' ' ' GLY . . . 78.54 33.68 37.93 Favored Glycine 0 N--CA 1.408 -3.175 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.276 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.79 155.47 19.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.481 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 59.3 m -148.13 152.75 37.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.7 tp -45.07 -47.92 11.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.267 1.027 . . . . 0.0 113.083 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -65.68 -27.22 68.2 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 120.981 0.42 . . . . 0.0 112.007 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.447 0.641 . . . . 0.0 109.584 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 125' ' ' TYR . 16.0 tp -67.13 -29.5 69.24 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.7 m -58.74 -29.35 66.67 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.188 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -85.78 -41.23 15.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.184 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.442 ' O ' ' HD3' ' A' ' 76' ' ' LYS . 14.6 m-30 -63.53 -50.15 70.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.034 0.445 . . . . 0.0 111.698 -175.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 6.5 mp -79.69 -30.55 41.13 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 121.94 0.876 . . . . 0.0 108.893 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptp 73.42 78.06 0.13 Allowed 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 112.321 -2.218 . . . . 0.0 111.611 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 m -64.16 113.6 3.65 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 114.27 -1.332 . . . . 0.0 108.815 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 113' ' ' LYS . 4.0 tmtm? -161.3 -44.24 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.985 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -102.22 -13.07 17.56 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.214 0.531 . . . . 0.0 110.782 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 67.75 -73.35 0.08 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.776 1.23 . . . . 0.0 113.843 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.56 -14.85 0.01 OUTLIER Glycine 0 N--CA 1.496 2.658 0 C-N-CA 127.408 2.433 . . . . 0.0 118.897 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.76 ' NZ ' ' HA ' ' A' ' 117' ' ' LYS 0.311 0.1 OUTLIER -93.24 -47.3 6.99 Favored 'General case' 0 N--CA 1.406 -2.629 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 175.061 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -116.08 3.68 13.59 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -64.05 -30.13 71.22 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 118.975 0.807 . . . . 0.0 111.783 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -46.1 76.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.899 0.88 . . . . 0.0 109.473 174.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.404 HG11 ' HB1' ' A' ' 79' ' ' ALA . 7.6 p -83.9 -33.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.962 0.41 . . . . 0.0 111.201 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -59.89 -53.27 59.91 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.568 0.747 . . . . 0.0 110.494 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -62.42 -34.57 77.02 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.697 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.49 -37.93 86.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.688 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.6 ' CD2' HD22 ' A' ' 106' ' ' LEU . 77.7 t80 -69.26 -35.5 76.15 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.4 ttt -51.82 -37.49 52.01 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.498 0.719 . . . . 0.0 111.633 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.45 ' HA ' ' OD1' ' A' ' 130' ' ' ASP . 15.9 m -56.21 -18.84 11.43 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 124.765 1.226 . . . . 0.0 113.538 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.713 ' HA ' ' CE2' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -69.23 -18.44 63.88 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.642 -1.286 . . . . 0.0 111.232 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.635 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -71.54 -20.99 61.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.37 179.131 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 127' ' ' THR . 5.0 m-20 -84.02 -8.16 59.21 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.532 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.713 ' CE2' ' HA ' ' A' ' 128' ' ' TYR . 51.3 p90 -128.88 -37.2 1.74 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.505 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.891 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.61 80.96 2.79 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.833 1.689 . . . . 0.0 110.064 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.0 -167.91 13.17 Favored Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 tp -97.61 -85.66 0.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 m -135.99 10.29 3.32 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 122.77 1.271 . . . . 0.0 108.104 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 7.6 p-10 -78.98 171.89 14.58 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.998 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.6 mt 59.15 -166.28 0.18 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.478 0.711 . . . . 0.0 111.679 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -86.57 75.9 9.64 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.344 0.593 . . . . 0.0 110.82 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 23.8 pttm -151.64 9.21 0.53 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.159 174.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -68.87 -25.06 64.44 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.413 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.2 mt-10 -77.34 8.71 3.83 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -29.93 45.25 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.33 -19.79 30.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.71 15.23 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG13 ' CZ2' ' A' ' 96' ' ' TRP . 78.1 t -54.38 -43.93 64.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.278 1.031 . . . . 0.0 112.229 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.81 -29.46 62.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -40.49 47.08 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.802 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.7 mmt -73.11 -26.18 61.14 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.495 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.99 82.3 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.63 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -69.35 -26.83 64.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.251 -0.98 . . . . 0.0 110.386 177.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -64.82 -24.32 67.51 Favored 'General case' 0 C--O 1.197 -1.678 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.851 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.48 -44.62 17.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.761 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 21.0 ptt? -82.71 -21.9 34.66 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -173.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.04 -40.95 6.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.773 0.321 . . . . 0.0 111.357 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.642 ' OD2' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -125.53 64.94 50.14 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.284 -176.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.92 1.58 2.24 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.946 3.097 . . . . 0.0 115.583 -168.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 t -69.46 -39.68 77.6 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.057 0.456 . . . . 0.0 109.782 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -88.67 -5.2 58.28 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.0 -41.4 11.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -50.12 -53.63 26.12 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -60.27 -25.98 66.12 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.874 0.369 . . . . 0.0 111.93 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.61 -43.35 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 125' ' ' TYR . 6.9 m-85 -61.46 -42.74 99.24 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 120.937 0.399 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -23.67 59.44 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.457 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 12.8 tmtt? -78.51 -34.23 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.499 ' CZ2' HG13 ' A' ' 75' ' ' VAL . 38.9 m0 -75.5 -35.09 60.87 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.952 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.13 77.05 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.78 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.56 67.05 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -100.67 0.78 39.75 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.04 77.36 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.465 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -69.75 114.1 7.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.611 0.719 . . . . 0.0 109.53 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.508 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 18.0 p -100.63 166.33 10.95 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.648 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.21 -35.54 49.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.649 1.18 . . . . 0.0 112.967 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.7 t -74.72 -33.97 62.48 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.792 0.329 . . . . 0.0 111.435 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -83.1 -22.08 33.51 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.617 0.723 . . . . 0.0 109.133 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.435 HD11 ' CZ3' ' A' ' 96' ' ' TRP . 15.8 tp -64.92 -19.5 65.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.123 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 111' ' ' LYS . 41.1 t -69.28 -26.54 64.81 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.075 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.91 -20.96 29.91 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.943 0.878 . . . . 0.0 110.054 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -93.78 -50.12 5.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.91 -49.59 4.73 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 107' ' ' SER . 23.0 tptp -169.21 132.86 1.34 Allowed 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.897 -165.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m -62.48 90.3 0.03 OUTLIER 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.31 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 113' ' ' LYS 0.342 2.6 mptp? 78.74 96.33 0.06 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 176.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.65 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 6.5 m 43.87 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -85.57 154.72 21.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.235 -166.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 157.73 -129.6 2.38 Favored Glycine 0 C--O 1.209 -1.41 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.66 -29.93 32.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.54 . . . . 0.0 111.173 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.91 25.52 7.91 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.46 -57.36 4.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.282 1.433 . . . . 0.0 111.926 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -58.74 -42.06 87.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.967 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -79.87 -43.07 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.542 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' A' ' 114' ' ' THR . 1.6 t80 -65.02 -60.88 2.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.187 0.595 . . . . 0.0 109.729 -176.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.779 0.832 . . . . 0.0 110.811 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.12 72.41 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.562 ' O ' ' HD1' ' A' ' 128' ' ' TYR . 16.4 m-85 -71.09 -22.63 62.08 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 52.1 ttm -48.77 -34.01 11.42 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 m -68.67 -24.57 64.53 Favored 'General case' 0 C--O 1.196 -1.76 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.562 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.5 OUTLIER -70.94 -12.31 61.46 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-N 118.459 0.572 . . . . 0.0 111.555 -174.186 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -60.47 -5.86 1.36 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -174.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.24 -17.88 17.12 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 118.226 0.466 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.14 -37.65 8.48 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.242 0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.099 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.987 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.2 -43.39 47.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 CA-C-N 119.938 1.869 . . . . 0.0 107.837 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.28 115.05 4.2 Favored Glycine 0 N--CA 1.419 -2.447 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -172.41 -52.82 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -86.04 88.78 7.64 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.153 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.424 ' CG ' ' HG2' ' A' ' 69' ' ' LYS . 14.4 t0 -84.5 114.97 22.33 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.667 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.87 -3.46 58.7 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.892 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -99.04 7.54 45.84 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.256 0.55 . . . . 0.0 109.627 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' HG2' ' CG ' ' A' ' 66' ' ' ASP . 41.6 mmtm -114.0 19.51 16.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.522 ' OG1' ' HG2' ' A' ' 72' ' ' LYS 0.353 13.3 t 59.16 136.42 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.463 2.305 . . . . 0.0 115.116 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -21.23 62.13 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.235 -1.348 . . . . 0.0 112.54 -177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 48.8 mmtt -65.34 -46.47 80.11 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.07 60.38 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.325 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.97 -56.62 3.47 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.93 -36.35 77.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -67.97 -17.66 64.5 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.52 -39.04 58.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.9 mtt -74.76 -37.45 62.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -58.31 -40.55 82.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.032 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -35.46 76.25 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.243 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.45 -39.81 81.34 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.623 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 57.6 mt -79.31 -23.0 12.41 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 CA-C-O 122.043 0.925 . . . . 0.0 110.463 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -64.96 -22.33 66.98 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.728 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.82 -55.73 2.37 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.496 0.665 . . . . 0.0 109.475 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.6 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 24.5 t0 -98.9 112.38 62.73 Favored Pre-proline 0 C--N 1.311 -1.086 0 C-N-CA 124.555 1.142 . . . . 0.0 110.566 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -95.9 5.83 1.97 Allowed 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 122.479 2.12 . . . . 0.0 112.878 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.2 t -92.63 -35.77 13.35 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 109.954 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -8.41 59.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.16 0.505 . . . . 0.0 110.352 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' CZ ' ' A' ' 93' ' ' TYR . . . -51.56 -45.96 63.25 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.27 -50.3 73.34 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -39.56 60.99 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.66 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.563 ' HB ' HD11 ' A' ' 82' ' ' ILE . 26.7 t -78.08 -38.54 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.839 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.439 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 16.6 m-30 -62.75 -48.2 80.24 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -43.07 81.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.381 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.9 ptpp? -78.46 -27.26 46.33 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 119.28 -0.968 . . . . 0.0 111.416 -178.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -62.41 -28.15 69.59 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.98 -38.72 79.51 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.315 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -28.23 48.69 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.421 0.629 . . . . 0.0 109.724 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -81.56 0.76 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.784 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.3 9.24 85.28 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.103 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -93.31 113.13 25.23 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -105.63 165.97 10.78 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.991 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.3 tp -43.91 -54.1 5.59 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.758 1.223 . . . . 0.0 112.543 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -60.84 -35.93 77.81 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.12 -27.44 26.24 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 121.055 0.455 . . . . 0.0 110.1 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.88 -27.55 66.76 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.896 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -64.26 -31.92 73.31 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.57 -52.97 62.9 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.371 0.668 . . . . 0.0 110.275 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.02 -49.8 54.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.318 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 121' ' ' VAL . 8.1 mp -75.31 -17.96 60.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -167.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 115' ' ' ARG . 47.1 mttp -87.09 166.71 14.8 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 t -177.88 115.65 0.08 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.461 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.406 ' HG2' ' OG1' ' A' ' 114' ' ' THR . 51.9 tttm 66.25 -72.84 0.08 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.406 ' OG1' ' HG2' ' A' ' 113' ' ' LYS . 25.0 m -145.91 123.4 11.72 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 9.7 mmm180 65.84 -78.26 0.04 OUTLIER 'General case' 0 C--O 1.201 -1.484 0 O-C-N 124.276 0.985 . . . . 0.0 109.334 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.38 149.19 4.91 Favored Glycine 0 N--CA 1.424 -2.116 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 117' ' ' LYS . 13.0 tmtt? -73.16 -27.8 61.86 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -114.99 25.86 10.59 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.403 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.56 -19.07 61.56 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.646 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -55.83 -54.35 45.63 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-O 121.344 0.592 . . . . 0.0 109.86 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 79' ' ' ALA . 2.9 p -69.4 -32.05 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.518 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -64.6 -52.01 59.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 111.233 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -32.53 74.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.12 -32.22 58.69 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.895 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.43 -31.51 72.23 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.275 1.03 . . . . 0.0 111.532 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.9 tpt -51.74 -28.48 15.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.076 0.95 . . . . 0.0 112.246 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.3 m -57.59 -23.76 52.61 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.81 0.844 . . . . 0.0 112.247 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.513 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -72.86 -17.73 61.5 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.711 -0.618 . . . . 0.0 111.212 -176.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.522 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -70.32 0.39 6.55 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.027 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -86.04 -26.76 25.18 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -117.67 -28.47 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.522 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 45.5 t . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.039 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -73.44 -12.67 25.07 Favored 'Trans proline' 0 N--CA 1.481 0.756 0 C-N-CA 122.788 2.325 . . . . 0.0 111.093 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.4 -179.63 28.15 Favored Glycine 0 N--CA 1.417 -2.629 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.47 95.49 9.3 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 117.326 0.563 . . . . 0.0 109.566 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -139.58 -18.37 0.97 Allowed 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.46 0.648 . . . . 0.0 109.608 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.78 -59.99 4.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.17 1.388 . . . . 0.0 111.007 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -103.86 98.8 8.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.269 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -73.64 78.19 1.51 Allowed 'General case' 0 C--O 1.244 0.798 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.471 ' HD3' ' CZ ' ' A' ' 109' ' ' PHE . 24.7 tttm 53.1 -161.28 0.11 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.544 1.937 . . . . 0.0 111.586 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.3 -50.48 1.53 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -174.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.2 9.74 1.89 Allowed 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -166.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.15 -41.47 62.6 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -176.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' O ' ' HD3' ' A' ' 77' ' ' LYS . . . -68.12 -29.38 68.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.771 0.319 . . . . 0.0 111.832 -176.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.76 -43.4 14.29 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.004 0.43 . . . . 0.0 109.983 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG13 ' CZ2' ' A' ' 96' ' ' TRP . 90.7 t -61.16 -35.2 64.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.621 -178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 28.7 mtpp -67.57 -24.0 65.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 73' ' ' ALA . 5.3 mptp? -82.62 -35.13 27.29 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.281 0.562 . . . . 0.0 109.521 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.1 mmt -72.29 -26.51 61.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.248 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.1 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 80' ' ' LYS . 11.6 tmtt? -61.19 -44.4 97.35 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -60.44 -23.88 64.76 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.418 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.5 -59.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.9 ttp -58.56 -45.06 89.79 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.231 -173.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.52 -25.5 19.23 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 123.881 0.738 . . . . 0.0 112.015 -175.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 5.2 m-20 -112.75 79.99 3.56 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.1 -34.14 29.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.223 1.949 . . . . 0.0 114.959 -168.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -82.48 -18.41 41.76 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.646 0.736 . . . . 0.0 109.721 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HE2' ' HB1' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -87.94 -15.08 37.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.699 -178.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.83 -37.99 20.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.86 -38.61 88.91 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 120.639 0.256 . . . . 0.0 111.155 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -37.52 61.76 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.683 0.754 . . . . 0.0 110.961 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 18.9 t -81.8 -40.3 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.33 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -62.47 -48.89 77.62 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -43.02 99.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.178 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 92' ' ' VAL . 5.0 ptpp? -75.18 -28.93 60.23 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.9 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.459 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 25.0 m0 -66.17 -23.48 66.47 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.756 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.89 66.58 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.426 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -24.93 56.08 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.483 0.659 . . . . 0.0 109.702 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.612 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -75.41 -6.68 51.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.387 175.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.89 7.53 64.33 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.459 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -77.23 114.11 15.69 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.233 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.7 24.6 10.93 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.201 1.4 . . . . 0.0 113.255 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 125' ' ' TYR . 69.1 tp 62.79 73.64 0.46 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.331 1.062 . . . . 0.0 110.907 -174.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.63 -60.8 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.196 -1.366 . . . . 0.0 109.766 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -58.83 -26.17 63.9 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.835 1.254 . . . . 0.0 112.09 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 125' ' ' TYR . 23.4 tp -53.55 -33.12 53.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.11 0.964 . . . . 0.0 111.223 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -60.61 -33.03 72.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.436 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.44 -42.59 15.48 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.38 -0.528 . . . . 0.0 112.273 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.471 ' CZ ' ' HD3' ' A' ' 69' ' ' LYS . 36.8 m-85 -58.49 -48.93 79.18 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.902 0.858 . . . . 0.0 111.025 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 118' ' ' TYR . 7.8 mp -71.76 -47.55 52.9 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 84.61 127.05 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 126.879 2.072 . . . . 0.0 111.895 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.552 ' HB2' ' HD3' ' A' ' 115' ' ' ARG 0.256 94.9 p 68.18 19.74 9.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.985 1.714 . . . . 0.0 111.416 -174.343 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 67.73 -82.74 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 125.891 1.676 . . . . 0.0 115.282 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.4 m -130.17 24.61 5.23 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.971 0.891 . . . . 0.0 110.292 -171.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HD3' ' HB2' ' A' ' 112' ' ' SER . 30.7 mtp-105 -78.49 95.12 5.08 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.167 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.49 -129.99 9.16 Favored Glycine 0 N--CA 1.42 -2.42 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.937 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 119' ' ' ASP . 12.5 tptp -69.3 -17.84 63.77 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -172.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HB3' HD23 ' A' ' 110' ' ' LEU . 21.4 m-85 -71.55 14.81 0.16 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -45.57 -64.35 0.75 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.537 1.535 . . . . 0.0 113.6 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -75.05 -32.97 61.67 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.74 -40.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.216 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -69.13 -53.19 21.45 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.042 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.57 -47.44 84.25 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.629 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.55 -43.21 99.14 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.596 ' CD2' HD22 ' A' ' 106' ' ' LEU . 71.5 t80 -62.09 -51.2 68.88 Favored 'General case' 0 C--O 1.195 -1.805 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.718 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -57.69 -22.07 44.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.3 m -67.24 -19.71 65.56 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.536 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 1.5 p90 -68.95 -13.36 62.4 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 121.555 -0.716 . . . . 0.0 111.357 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.504 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 18.3 mmm-85 -66.71 2.94 1.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.35 -31.13 57.9 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 172.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -79.85 -32.87 40.55 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.504 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 8.0 p . . . . . 0 C--O 1.249 1.074 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.216 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.96 148.56 19.68 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 122.154 1.902 . . . . 0.0 111.35 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.73 58.09 5.03 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.8 tp -82.34 114.9 21.12 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m 72.45 19.17 4.31 Favored 'General case' 0 CA--C 1.56 1.33 0 O-C-N 124.169 0.918 . . . . 0.0 110.011 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.495 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 28.4 t70 -59.18 -31.16 68.76 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.265 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 67' ' ' LEU . 2.4 pt? -66.8 -1.43 3.88 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.719 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.42 -23.22 64.6 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.095 -0.378 . . . . 0.0 110.556 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' A' ' 66' ' ' ASP . 39.9 mtmt -66.24 -7.28 17.42 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.914 0.886 . . . . 0.0 112.69 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 p -61.84 133.81 55.93 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE1' ' HE3' ' A' ' 95' ' ' LYS . 31.0 tt0 -78.07 14.51 1.13 Allowed 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.277 0.56 . . . . 0.0 111.24 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -48.99 -25.83 2.19 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.536 1.534 . . . . 0.0 114.597 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.87 -29.21 17.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.96 0.409 . . . . 0.0 111.895 -176.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.17 13.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.472 HG23 ' HE1' ' A' ' 96' ' ' TRP . 14.4 p -55.58 -38.95 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.338 0.655 . . . . 0.0 112.041 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.86 -27.59 68.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -74.2 -44.42 53.39 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.66 -42.11 95.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.776 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -60.73 -52.61 64.36 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.721 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -21.25 64.28 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.922 0.391 . . . . 0.0 111.841 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.86 66.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 58.3 mt -70.92 -36.18 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.207 0.527 . . . . 0.0 110.103 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.2 ttt -56.13 -25.94 48.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.952 0.901 . . . . 0.0 111.337 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.39 -22.85 14.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.662 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 3.8 t70 -152.76 119.47 3.04 Favored Pre-proline 0 C--O 1.249 1.058 0 C-N-CA 122.321 0.248 . . . . 0.0 110.779 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -92.73 2.06 3.72 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 122.57 2.18 . . . . 0.0 113.19 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.6 m -70.92 -45.06 64.89 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 117.602 0.183 . . . . 0.0 111.415 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -87.06 -4.5 59.16 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.22 -23.48 55.92 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -62.11 -52.09 65.28 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 122.845 0.458 . . . . 0.0 111.603 -174.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.23 -29.87 69.63 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.248 0.546 . . . . 0.0 111.043 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.1 t -63.6 -31.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.372 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.19 -35.74 74.15 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.76 87.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.901 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' ' OE1' ' A' ' 71' ' ' GLU . 7.2 tmtm? -60.92 -36.53 79.55 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.674 177.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.472 ' HE1' HG23 ' A' ' 75' ' ' VAL . 23.3 m0 -70.41 -24.03 62.85 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.333 -0.854 . . . . 0.0 112.208 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.28 -24.7 63.09 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.497 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -68.56 -21.83 64.52 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 121.632 0.73 . . . . 0.0 109.49 177.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.497 ' HD2' ' CG ' ' A' ' 98' ' ' ASP . 17.0 mmmt -91.86 -15.07 28.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.779 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.07 24.79 68.09 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.441 -176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.527 ' CD2' HD13 ' A' ' 106' ' ' LEU . 19.0 m-85 -67.53 114.15 5.95 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.304 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 m -98.87 94.35 6.53 Favored 'General case' 0 N--CA 1.425 -1.692 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.309 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.434 ' HA ' ' CE2' ' A' ' 125' ' ' TYR . 51.5 tp 38.09 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.386 2.274 . . . . 0.0 115.187 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 107' ' ' SER . 10.0 t -63.5 -20.79 65.9 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.945 1.298 . . . . 0.0 112.252 -175.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.8 -25.14 33.01 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 101' ' ' TYR . 67.1 tp -72.53 -25.79 61.51 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 104' ' ' THR . 17.6 m -61.02 -18.75 59.47 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.033 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 0.4 OUTLIER -84.72 -34.87 22.82 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 174.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.439 ' HB3' HG11 ' A' ' 75' ' ' VAL . 90.2 m-85 -68.47 -22.82 64.54 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.364 1.078 . . . . 0.0 109.146 175.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mp -107.7 3.63 24.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.744 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 108' ' ' ASP 0.443 62.0 mttm 26.64 61.88 0.08 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.0 m -107.64 -17.89 13.98 Favored 'General case' 0 N--CA 1.408 -2.568 0 CA-C-N 113.764 -1.562 . . . . 0.0 112.378 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . 0.306 24.2 pttm -84.33 65.89 9.1 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.002 1.382 . . . . 0.0 111.209 176.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -168.35 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -177.73 108.1 0.06 Allowed 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.786 -1.552 . . . . 0.0 107.198 175.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -65.3 110.79 3.71 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-N 115.428 -0.805 . . . . 0.0 115.013 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.623 ' HD2' ' H ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -93.98 -21.44 19.18 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.018 0.913 . . . . 0.0 109.221 174.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.432 ' HB3' ' CG1' ' A' ' 121' ' ' VAL . 81.9 m-85 -97.69 26.48 5.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.3 178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.9 -52.07 3.11 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.246 1.018 . . . . 0.0 112.851 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 120' ' ' ARG . 4.8 mmp_? -53.82 -44.12 69.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -178.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 79' ' ' ALA . 14.8 p -82.72 -31.81 9.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.385 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -62.26 -44.69 95.97 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.517 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -50.75 64.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 123.564 0.54 . . . . 0.0 110.367 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.9 -45.15 94.87 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.644 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 103' ' ' LEU . 43.4 t80 -59.72 -47.66 84.76 Favored 'General case' 0 C--O 1.209 -1.035 0 C-N-CA 122.797 0.439 . . . . 0.0 111.65 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.0 ttt -53.93 -29.17 41.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.315 1.046 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.9 m -66.18 -19.5 65.85 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.747 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.516 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -68.12 -19.65 64.85 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 121.298 -0.876 . . . . 0.0 111.031 -177.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HG2' ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -69.23 -0.12 5.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -84.44 -28.58 26.75 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.68 -25.42 5.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.929 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.491 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 41.0 t . . . . . 0 C--N 1.316 -0.855 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.113 0 N-CA-C 107.376 -2.29 . . . . 0.0 107.376 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.61 88.39 1.04 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 106.808 -2.035 . . . . 0.0 106.808 169.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.53 144.82 12.79 Favored Glycine 0 C--O 1.274 2.612 0 N-CA-C 108.789 -1.725 . . . . 0.0 108.789 -171.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.33 -69.58 0.84 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.267 0.556 . . . . 0.0 109.704 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.406 HG21 ' HG2' ' A' ' 105' ' ' GLN . 30.7 m -163.54 36.95 0.09 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.83 -78.92 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.045 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 tp -140.3 80.74 1.77 Allowed 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.235 0.54 . . . . 0.0 109.937 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 15.4 p90 -174.26 -173.71 0.81 Allowed 'General case' 0 C--O 1.247 0.935 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' HG3' ' CD2' ' A' ' 68' ' ' PHE . 7.8 mtpm? 70.65 97.98 0.07 Allowed 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.108 0.88 . . . . 0.0 109.992 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -94.8 7.07 47.09 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.192 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -16.1 61.08 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.511 -0.743 . . . . 0.0 109.848 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -46.48 -37.28 7.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.627 1.171 . . . . 0.0 112.767 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.89 64.9 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.164 0.506 . . . . 0.0 111.785 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.59 -35.12 21.22 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.511 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -58.26 -27.13 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.31 -41.66 73.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.938 0.399 . . . . 0.0 110.091 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.07 -28.6 57.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.401 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -61.54 -48.76 79.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.303 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -36.13 81.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.407 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.79 82.52 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 71.2 mt -70.46 -25.09 26.27 Favored 'Isoleucine or valine' 0 C--O 1.251 1.177 0 CA-C-O 122.126 0.965 . . . . 0.0 110.575 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ttt -71.86 -19.8 61.9 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.906 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.55 -49.76 4.3 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 13.1 t70 -118.88 127.21 26.66 Favored Pre-proline 0 C--N 1.312 -1.046 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.407 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -95.86 6.8 1.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.303 2.002 . . . . 0.0 112.949 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -87.69 -52.05 5.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.749 0.309 . . . . 0.0 110.356 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -73.07 -4.2 31.09 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -176.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.59 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.162 0.985 . . . . 0.0 112.301 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -56.94 -52.0 66.94 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.857 0.863 . . . . 0.0 110.62 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 94' ' ' GLN . 1.4 t70 -55.68 -37.24 68.07 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.202 1.401 . . . . 0.0 112.17 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 82' ' ' ILE . 23.7 t -77.38 -40.3 28.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.852 -176.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.09 -35.46 80.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.564 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 1.9 tt0 -56.78 -57.34 12.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.264 173.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.571 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.4 tmtt? -61.09 -24.89 66.57 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.792 0.837 . . . . 0.0 110.395 -178.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.408 ' HA ' ' CD2' ' A' ' 101' ' ' TYR . 42.3 m0 -83.5 -49.23 9.47 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.509 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.57 -27.02 62.87 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -23.7 52.95 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.398 0.618 . . . . 0.0 110.186 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -93.73 -7.72 42.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.133 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.67 30.77 52.0 Favored Glycine 0 N--CA 1.434 -1.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.405 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 96' ' ' TRP . 23.6 m-85 -74.08 135.78 42.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.334 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.504 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 25.5 p -98.69 159.75 14.74 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.159 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.77 -37.91 60.22 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.409 0.684 . . . . 0.0 112.345 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.3 t -66.48 -36.91 83.9 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.067 0.46 . . . . 0.0 110.758 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' A' ' 65' ' ' THR . 97.1 mt-30 -75.59 -34.0 60.61 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 125' ' ' TYR . 3.3 tm? -63.12 -34.77 78.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.511 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -60.33 -50.42 73.71 Favored 'General case' 0 C--O 1.25 1.112 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.02 -31.08 69.62 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.946 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.417 ' CD2' ' HA ' ' A' ' 106' ' ' LEU . 22.3 m-30 -72.01 -49.14 39.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.334 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.89 -43.84 34.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.26 -71.15 0.72 Allowed 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.7 t 171.06 -165.27 0.02 OUTLIER 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 101.426 -3.546 . . . . 0.0 101.426 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 114' ' ' THR . 37.2 mttm -79.56 72.09 6.2 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 119.501 1.046 . . . . 0.0 110.355 -176.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 175.3 171.42 0.3 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 128.494 2.718 . . . . 0.0 107.852 178.033 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.589 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 28.8 ttp180 -82.39 167.15 18.79 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -152.33 -149.8 5.21 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.19 -25.54 68.39 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.701 1.239 . . . . 0.0 109.979 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.42 26.36 0.79 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.717 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.589 ' OD1' ' HD2' ' A' ' 115' ' ' ARG . 35.7 t70 -55.81 -39.58 71.53 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.647 0.26 . . . . 0.0 111.206 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -53.45 -44.73 69.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.3 p -83.96 -33.95 9.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.167 0.508 . . . . 0.0 110.631 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -69.15 -57.76 4.96 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.359 0.664 . . . . 0.0 112.222 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.95 -31.43 72.0 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.12 -35.11 82.8 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.361 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.532 ' CD2' ' HG ' ' A' ' 106' ' ' LEU . 51.7 t80 -67.29 -28.75 68.28 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.116 0.567 . . . . 0.0 111.973 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 15.2 tpt -50.85 -32.67 20.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.288 0.635 . . . . 0.0 112.223 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -55.6 -19.63 10.91 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.242 1.017 . . . . 0.0 112.49 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.504 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -78.17 -20.4 52.05 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.427 -0.795 . . . . 0.0 110.363 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 0.8 OUTLIER -76.11 -10.58 59.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.44 -167.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.49 -2.84 32.09 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.942 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -127.24 -36.29 2.14 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.143 -177.828 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.605 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.23 169.2 21.27 Favored 'Trans proline' 0 C--O 1.24 0.612 0 C-N-CA 122.183 1.922 . . . . 0.0 110.424 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.24 165.95 32.47 Favored Glycine 0 N--CA 1.428 -1.849 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -163.2 -48.26 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.3 t -146.86 164.7 32.01 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.95 138.46 32.47 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 123.751 0.657 . . . . 0.0 109.855 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.92 -15.07 12.41 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.15 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -77.53 -39.02 47.46 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.274 26.1 mtmm 89.17 78.12 0.01 OUTLIER 'General case' 0 C--O 1.242 0.665 0 C-N-CA 126.458 1.903 . . . . 0.0 113.654 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.252 32.3 p 66.88 27.04 9.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 126.601 1.961 . . . . 0.0 115.38 173.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 67.43 -39.19 0.37 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 171.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 30.9 pttt -42.36 -32.74 0.55 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -172.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.27 42.4 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.48 -39.46 18.88 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 120.91 0.386 . . . . 0.0 111.262 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 109' ' ' PHE . 12.4 p -57.93 -26.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.245 0.618 . . . . 0.0 111.501 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 68.0 mttm -62.27 -33.52 74.79 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.023 0.439 . . . . 0.0 110.825 176.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -69.32 -24.27 63.91 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-O 121.547 0.689 . . . . 0.0 110.762 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.0 mmt -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.7 81.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.917 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -62.17 -26.24 68.23 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.387 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.73 -39.13 22.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.392 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.9 mm -65.98 -32.03 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 122.37 1.081 . . . . 0.0 108.709 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.2 ttm -70.29 -25.9 63.54 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.681 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.57 -51.8 8.34 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.464 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 19.7 t70 -133.83 122.53 16.59 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.958 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -94.32 7.39 2.37 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 m -84.37 -42.15 16.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.597 0.713 . . . . 0.0 109.698 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.66 -5.37 59.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.288 177.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.65 -39.56 58.39 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.03 -38.38 62.34 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.15 -30.37 70.33 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 119.566 -0.853 . . . . 0.0 111.211 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.414 ' HA ' ' HB2' ' A' ' 95' ' ' LYS . 47.9 t -81.57 -28.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.02 -45.0 94.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.48 80.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.624 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 7.1 mmtm -67.65 -45.3 75.71 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.024 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.174 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.91 89.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.624 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -80.65 -12.77 59.44 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.845 0.831 . . . . 0.0 110.534 -177.019 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -4.09 37.92 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.8 22.19 67.0 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.316 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -98.78 113.86 26.15 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.6 p -103.67 172.2 6.94 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.919 0.137 . . . . 0.0 110.712 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.87 -42.39 68.55 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.867 0.867 . . . . 0.0 112.203 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -69.21 -28.12 66.09 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.46 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.81 -24.12 67.59 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.395 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 m -61.84 -30.24 70.71 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.135 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.82 -45.79 12.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.824 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' HB3' HG11 ' A' ' 75' ' ' VAL . 21.5 m-30 -52.39 -48.99 65.32 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.627 1.204 . . . . 0.0 111.519 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.8 -47.03 10.1 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.657 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? 62.05 48.32 5.19 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 123.263 1.506 . . . . 0.0 108.764 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 115' ' ' ARG . 33.0 t -65.99 -3.1 4.71 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.582 -176.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.619 ' NZ ' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -92.17 -30.05 16.15 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 120.733 -1.23 . . . . 0.0 110.827 176.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.9 m -89.44 -40.73 12.51 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.6 mmp_? -116.5 93.26 4.14 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.27 34.54 2.43 Favored Glycine 0 C--O 1.211 -1.306 0 N-CA-C 114.23 0.452 . . . . 0.0 114.23 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 14.6 tptp -93.03 -18.83 22.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.708 0.766 . . . . 0.0 109.959 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -76.76 26.56 0.14 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 121.961 -0.462 . . . . 0.0 112.152 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.9 OUTLIER -42.96 -64.38 0.64 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.142 1.777 . . . . 0.0 113.803 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.34 -49.44 76.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.01 -43.07 89.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -174.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -71.76 -55.15 8.17 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.216 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.57 -37.16 92.35 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.544 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.88 -33.67 76.57 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.565 0.346 . . . . 0.0 111.674 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.8 ttt -50.33 -34.33 23.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.001 0.921 . . . . 0.0 112.395 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.2 m -57.38 -20.8 31.82 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.414 1.086 . . . . 0.0 112.342 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.457 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 0.9 OUTLIER -62.82 -24.73 67.91 Favored 'General case' 0 C--O 1.207 -1.162 0 O-C-N 121.77 -0.581 . . . . 0.0 111.003 -177.147 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.544 ' HA ' ' NE ' ' A' ' 129' ' ' ARG . 1.0 OUTLIER -64.97 -18.08 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.25 -11.18 50.43 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.478 0.486 . . . . 0.0 111.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -136.64 -27.84 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.927 179.705 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.54 ' N ' ' HG1' ' A' ' 65' ' ' THR . . . . . . . . 0 N--CA 1.476 1.347 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.62 -31.9 69.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.874 1.716 . . . . 0.0 108.736 173.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.12 162.27 24.49 Favored Glycine 0 N--CA 1.415 -2.724 0 N-CA-C 106.372 -2.691 . . . . 0.0 106.372 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp 61.54 76.53 0.36 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 122.197 0.998 . . . . 0.0 111.233 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.54 ' HG1' ' N ' ' A' ' 61' ' ' GLY . 18.3 m -143.01 20.74 1.95 Allowed 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 177.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.56 36.2 0.43 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 112.075 -2.329 . . . . 0.0 112.996 -169.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -85.88 82.14 8.27 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -152.22 -167.28 2.72 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 p -76.79 100.83 5.61 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -26.12 68.69 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -54.98 -48.0 73.85 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.545 1.164 . . . . 0.0 108.66 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' LYS . . . -76.59 -19.36 57.94 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.477 -1.692 . . . . 0.0 111.722 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.36 -56.95 3.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.838 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.76 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 109' ' ' PHE . 76.4 tttt -70.19 -18.06 63.17 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.493 0.663 . . . . 0.0 111.198 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.5 tppp? -76.66 -29.9 56.57 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.0 mtt -82.57 -36.98 25.74 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -56.74 -41.13 76.97 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.626 0.771 . . . . 0.0 110.027 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.4 OUTLIER -57.99 -29.45 65.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.908 175.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.23 -35.75 47.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 0.0 111.601 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 92' ' ' VAL . 1.9 mp -74.4 -26.59 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.469 0.652 . . . . 0.0 110.397 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 27.3 ptm -70.3 -16.5 63.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.879 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.03 -58.4 2.41 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 18.6 t70 -115.0 115.66 43.1 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -95.44 13.26 1.29 Allowed 'Trans proline' 0 N--CA 1.436 -1.893 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 -43.81 9.21 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.523 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -85.14 -4.54 59.19 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.54 0.686 . . . . 0.0 110.755 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.85 -32.75 15.0 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.464 -1.244 . . . . 0.0 113.186 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.23 -49.94 70.72 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -54.86 -42.61 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.706 1.202 . . . . 0.0 111.859 176.007 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 82' ' ' ILE . 55.3 t -74.38 -32.34 30.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.757 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -68.54 -47.02 67.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.985 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 91' ' ' ASP . 4.8 pp0? -66.35 -36.61 83.34 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.542 -177.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -75.76 -17.49 59.87 Favored 'General case' 0 C--O 1.202 -1.421 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.406 179.465 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -79.31 -40.66 29.83 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.115 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.07 96.4 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.941 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.492 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -74.13 -20.44 60.24 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.921 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 47.7 mmtm -90.16 -2.48 58.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.822 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.84 12.03 58.35 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.846 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -72.34 125.84 28.37 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.128 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -104.34 142.65 34.18 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.883 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -42.15 -45.1 3.92 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.184 1.394 . . . . 0.0 113.103 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -56.55 -32.6 65.31 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -77.54 -22.22 51.39 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 122.638 0.375 . . . . 0.0 110.78 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CD2' ' A' ' 125' ' ' TYR . 20.8 tp -67.69 -26.35 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 0.0 109.838 -176.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m -62.22 -33.59 74.85 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.929 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 29.4 t70 -75.42 -34.19 61.0 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.398 0.618 . . . . 0.0 110.689 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 19.0 m-85 -75.11 -49.0 21.03 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -86.85 22.81 1.87 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.286 0.846 . . . . 0.0 113.286 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 108' ' ' ASP . 24.8 pttm -79.41 -179.97 7.1 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m 63.4 35.71 11.99 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -35.31 -57.55 0.59 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.218 2.207 . . . . 0.0 113.95 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.9 p 45.06 71.29 0.28 Allowed 'General case' 0 C--O 1.252 1.222 0 O-C-N 124.206 0.941 . . . . 0.0 113.083 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 77.41 161.5 0.22 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.324 1.45 . . . . 0.0 110.471 -173.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.46 71.66 1.03 Allowed Glycine 0 CA--C 1.519 0.293 0 O-C-N 123.356 0.41 . . . . 0.0 113.935 -175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -90.23 -60.68 1.86 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.077 0.465 . . . . 0.0 110.217 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -88.92 4.99 46.08 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 121.263 0.554 . . . . 0.0 110.384 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.84 -23.82 66.07 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.41 -55.88 17.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.1 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.458 HG11 ' HB1' ' A' ' 79' ' ' ALA . 4.8 p -68.25 -36.82 76.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.776 -178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -64.45 -58.62 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.426 0.155 . . . . 0.0 111.388 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -62.27 -35.67 79.69 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.479 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.12 -49.79 68.64 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.546 ' CD2' HD22 ' A' ' 106' ' ' LEU . 69.8 t80 -61.79 -38.7 89.03 Favored 'General case' 0 C--O 1.195 -1.79 0 C-N-CA 122.752 0.421 . . . . 0.0 110.828 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -51.52 -33.11 30.39 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.618 0.767 . . . . 0.0 111.732 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.2 m -65.21 -19.57 66.03 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.623 0.769 . . . . 0.0 111.672 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 125' ' ' TYR . 0.9 OUTLIER -66.35 -18.45 65.37 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.48 -0.762 . . . . 0.0 110.174 -178.469 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.2 mmm180 -65.78 -13.72 59.98 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.28 -17.38 27.54 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.473 0.654 . . . . 0.0 110.278 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -118.41 -36.71 3.47 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -173.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.239 0.542 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.139 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -100.91 31.33 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.959 2.439 . . . . 0.0 111.556 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 57.84 0.66 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -154.57 -45.44 0.09 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.821 0.819 . . . . 0.0 110.378 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -146.13 85.67 1.68 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.41 -77.46 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.293 -169.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.74 -14.57 56.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.315 0.579 . . . . 0.0 111.015 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -78.22 81.87 4.57 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.798 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -152.68 103.95 2.84 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.962 0.887 . . . . 0.0 109.792 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 p -110.5 30.74 6.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.918 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 9.77 1.58 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.6 -29.45 70.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.238 0.542 . . . . 0.0 110.877 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.06 -20.66 64.1 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.971 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.51 -44.26 12.84 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.05 -37.85 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.01 0.924 . . . . 0.0 111.589 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -61.32 -22.44 64.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -35.18 46.27 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.62 -42.08 78.58 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.112 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.3 61.07 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.38 -43.9 22.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.449 HD11 HG21 ' A' ' 92' ' ' VAL . 1.7 mp -67.88 -31.3 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.74 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.76 -24.77 67.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.61 -55.27 3.86 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD2' ' HG2' ' A' ' 88' ' ' LYS . 12.2 t70 -108.03 116.33 57.18 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.242 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.04 -5.43 7.71 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 122.423 2.082 . . . . 0.0 113.167 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -69.58 -45.01 69.65 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-O 120.876 0.37 . . . . 0.0 110.925 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 85' ' ' ASP . 8.6 ptpp? -86.81 -7.05 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.542 0.687 . . . . 0.0 110.429 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.77 95.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -168.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 9.7 t70 -65.37 -46.3 80.7 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-O 121.037 0.446 . . . . 0.0 110.431 -174.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.7 -28.09 65.46 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.628 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG21 HD11 ' A' ' 82' ' ' ILE . 88.2 t -83.5 -35.19 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 20.0 m-85 -63.35 -48.26 78.72 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.8 -32.26 73.68 Favored 'General case' 0 C--O 1.198 -1.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.73 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tmmm? -70.04 -28.56 65.56 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 121.648 0.737 . . . . 0.0 109.823 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -71.0 -41.97 70.24 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.611 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.62 84.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.047 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -23.07 65.13 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.562 0.696 . . . . 0.0 111.233 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.619 ' HE3' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -93.88 1.83 56.29 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.056 -0.403 . . . . 0.0 110.911 175.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 4.4 68.83 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.941 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -85.9 113.51 22.09 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t -111.67 165.17 12.26 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.833 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.1 tp -71.26 81.82 0.74 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 121.644 0.735 . . . . 0.0 111.958 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.8 t 170.05 -42.31 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.837 2.055 . . . . 0.0 106.233 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.07 -40.66 16.56 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.044 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.27 -28.33 67.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.334 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.8 m -63.94 -26.0 68.39 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.435 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.21 -26.21 28.9 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-O 121.214 0.53 . . . . 0.0 111.148 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -66.48 -47.4 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.34 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.92 -32.41 40.16 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.562 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 111' ' ' LYS . 32.8 tptt 66.71 50.4 1.17 Allowed 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -174.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.7 m -52.52 157.68 1.46 Allowed 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 110.589 -3.005 . . . . 0.0 116.154 -170.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' HZ2' ' HB3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -152.03 118.88 5.77 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 170.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -69.66 20.87 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 125.438 1.495 . . . . 0.0 113.452 -172.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.567 ' HA ' ' OD2' ' A' ' 119' ' ' ASP . 1.6 tpm_? -153.27 131.82 12.2 Favored 'General case' 0 N--CA 1.422 -1.865 0 O-C-N 121.567 -0.708 . . . . 0.0 109.508 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.77 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 116.604 1.402 . . . . 0.0 116.604 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.645 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -93.15 -62.35 1.39 Allowed 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -174.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -112.29 25.32 11.64 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 115' ' ' ARG . 12.2 t0 -49.06 -63.24 1.16 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 126.399 1.88 . . . . 0.0 111.288 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.22 -39.77 93.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.813 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.96 -38.65 43.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.098 -0.641 . . . . 0.0 112.025 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.88 -52.78 47.26 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.53 -32.32 73.91 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.21 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -46.18 60.73 Favored Glycine 0 N--CA 1.438 -1.229 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -63.62 -37.44 87.32 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.387 0.675 . . . . 0.0 110.971 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.8 ttp -50.61 -31.94 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.185 0.994 . . . . 0.0 112.148 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -58.67 -24.44 61.26 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -13.98 62.72 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.892 -0.505 . . . . 0.0 110.892 -176.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -61.89 -6.09 2.54 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.48 -28.9 18.26 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.486 0.491 . . . . 0.0 111.021 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -86.7 -38.29 17.13 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.667 -0.813 . . . . 0.0 112.749 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.248 1.015 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.389 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.671 ' N ' ' HG1' ' A' ' 65' ' ' THR . . . . . . . . 0 N--CA 1.481 1.65 0 CA-C-O 117.211 -1.883 . . . . 0.0 109.115 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -36.42 131.25 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 124.783 3.656 . . . . 0.0 114.425 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.16 -55.38 1.29 Allowed Glycine 0 C--O 1.216 -1.022 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -89.41 -11.65 42.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 122.286 1.041 . . . . 0.0 108.542 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.671 ' HG1' ' N ' ' A' ' 61' ' ' GLY . 2.2 m -158.17 99.74 1.66 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 67' ' ' LEU . 6.8 p-10 -94.6 -83.63 0.34 Allowed 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.969 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 97.8 mt -121.13 -178.62 3.81 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -86.87 21.03 2.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.043 0.449 . . . . 0.0 110.803 -177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 9.7 mmpt? 58.04 43.37 21.11 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.296 81.0 p 87.05 111.26 0.04 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.621 2.768 . . . . 0.0 109.368 -170.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -63.85 9.91 0.06 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 126.815 2.046 . . . . 0.0 114.81 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -51.91 -34.11 39.99 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 123.736 0.814 . . . . 0.0 112.484 176.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -78.36 -22.06 48.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.505 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.65 -47.54 9.72 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.2 -49.25 77.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.122 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.03 -17.62 63.54 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -69.77 -53.02 20.26 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.445 ' O ' HG13 ' A' ' 82' ' ' ILE . 18.6 mmt -68.84 -38.09 79.57 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 124.218 0.949 . . . . 0.0 112.121 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.476 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -53.03 -59.37 4.63 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 124.368 1.042 . . . . 0.0 110.967 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -22.85 66.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.913 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.85 -30.85 67.36 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 66.4 mt -80.4 -22.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.879 0.847 . . . . 0.0 108.769 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 120' ' ' ARG . 64.8 ttp -61.95 -34.68 76.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.147 176.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.59 -46.71 6.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.625 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 22.8 t70 -115.99 123.23 31.28 Favored Pre-proline 0 C--O 1.247 0.921 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -93.15 4.59 3.22 Favored 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.1 t -85.33 -51.41 6.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.401 0.62 . . . . 0.0 109.689 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.625 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -78.45 -5.42 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.705 0.764 . . . . 0.0 111.036 178.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.06 -49.66 68.49 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.417 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.77 -39.33 84.52 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -38.97 56.54 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.956 0.884 . . . . 0.0 110.602 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.451 HG21 ' HZ3' ' A' ' 88' ' ' LYS . 25.5 t -79.61 -36.3 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.806 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.983 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 125' ' ' TYR . 4.7 m-85 -59.25 -47.31 85.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.551 0.215 . . . . 0.0 110.693 176.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.67 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -69.23 -40.46 77.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.237 0.541 . . . . 0.0 111.05 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HA ' ' OD1' ' A' ' 98' ' ' ASP . 4.1 ttmp? -68.04 -33.83 75.32 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.16 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -69.86 -22.44 63.26 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.308 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.8 -39.26 21.98 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.61 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -76.62 -29.52 56.52 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.007 0.432 . . . . 0.0 110.829 -176.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -80.81 1.91 28.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.732 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.09 15.84 77.96 Favored Glycine 0 N--CA 1.434 -1.453 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 173.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -64.73 112.93 3.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.392 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 42.46 0.61 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.822 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.3 tp 63.17 -72.13 0.05 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.344 1.058 . . . . 0.0 113.493 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.2 t -69.36 -6.17 28.18 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.648 0.779 . . . . 0.0 112.532 -174.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -84.97 -23.7 28.63 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.5 tp -75.93 -30.41 58.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 m -54.43 -36.81 64.43 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 114.065 -1.425 . . . . 0.0 112.238 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 112' ' ' SER . 13.3 m-20 -84.54 -32.92 23.6 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -176.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.84 -35.11 80.05 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 122.388 1.09 . . . . 0.0 109.02 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.75 28.0 2.85 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.924 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 tptp 73.06 103.58 0.07 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.377 1.471 . . . . 0.0 111.237 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 108' ' ' ASP . 15.4 m -18.28 84.74 0.0 OUTLIER 'General case' 0 C--O 1.242 0.67 0 C-N-CA 127.745 2.418 . . . . 0.0 115.983 -175.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.3 mptt 61.4 13.25 4.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.046 1.338 . . . . 0.0 112.712 172.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 115' ' ' ARG . 11.2 m -89.26 -38.93 13.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 122.272 -0.267 . . . . 0.0 110.835 -175.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 114' ' ' THR . 49.6 mtm180 74.7 -71.66 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.989 0.916 . . . . 0.0 111.228 -177.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.71 -97.89 0.19 Allowed Glycine 0 C--O 1.214 -1.098 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 119' ' ' ASP 0.251 4.4 mmmp? -91.21 -18.68 24.02 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -83.21 25.78 0.69 Allowed 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 117' ' ' LYS . 4.8 p-10 -48.36 -62.52 1.45 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.482 1.513 . . . . 0.0 112.241 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -66.28 -44.24 84.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 79' ' ' ALA . 7.5 p -66.45 -45.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 126' ' ' MET . 83.3 t80 -79.63 -47.98 14.51 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.002 -177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -65.88 -32.95 74.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.27 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.87 45.77 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.492 ' HA ' ' CE2' ' A' ' 93' ' ' TYR . 79.5 t80 -54.68 -40.36 69.03 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.135 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 122' ' ' TYR . 86.3 mtp -51.64 -32.15 28.21 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.571 0.749 . . . . 0.0 112.584 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -66.08 -19.61 65.9 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.755 0.822 . . . . 0.0 112.072 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -24.21 65.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.923 -0.486 . . . . 0.0 111.579 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 1.1 tpm_? -68.04 -11.81 59.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.711 -166.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.17 -32.72 22.55 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.27 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.78 -36.39 6.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--O 1.256 1.411 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -177.665 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.449 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -97.34 25.55 0.24 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.763 2.309 . . . . 0.0 111.601 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.7 159.34 15.38 Favored Glycine 0 N--CA 1.423 -2.18 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.16 97.05 4.01 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m 68.69 32.79 4.04 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.369 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.28 -25.57 64.31 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.728 0.775 . . . . 0.0 109.46 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.45 84.94 7.48 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.357 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -61.58 112.58 2.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.607 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -75.78 6.61 4.75 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.439 -177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.6 p -80.51 -177.91 6.44 Favored 'General case' 0 C--O 1.266 1.97 0 CA-C-O 121.14 0.495 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 75' ' ' VAL . 35.4 mt-10 -82.57 30.58 0.42 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 123.629 0.772 . . . . 0.0 111.116 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -45.88 -27.16 0.81 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.736 1.615 . . . . 0.0 115.013 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 72' ' ' LYS . . . -90.42 -28.25 18.76 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -176.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.17 24.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.73 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 71' ' ' GLU . 76.4 t -55.53 -48.69 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.861 176.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.35 -20.84 66.57 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.112 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 73' ' ' ALA . 74.6 mmtt -76.49 -44.68 34.29 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.87 -30.41 61.32 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.227 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -62.43 -46.03 90.4 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.744 175.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 83' ' ' MET . 2.0 tmtm? -65.71 -35.28 80.31 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.339 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -44.58 69.69 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.59 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.608 ' HA ' ' O ' ' A' ' 85' ' ' ASP . 68.7 mt -69.35 -23.2 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.963 . . . . 0.0 110.387 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.537 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 7.5 ttt -60.79 -24.59 65.91 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.198 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.38 -54.79 2.53 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 18.1 t70 -106.92 127.22 28.46 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.466 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -96.42 1.34 1.99 Allowed 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.435 2.09 . . . . 0.0 112.898 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -79.33 -49.13 12.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 88' ' ' LYS 0.291 0.1 OUTLIER -81.01 -5.43 57.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.156 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.79 -43.73 2.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.941 1.297 . . . . 0.0 113.997 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.58 -46.61 73.78 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.62 0.575 . . . . 0.0 111.835 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -34.39 49.82 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.18 0.992 . . . . 0.0 112.094 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' HB ' HD11 ' A' ' 82' ' ' ILE . 65.9 t -83.17 -44.38 18.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.426 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -60.65 -46.68 89.41 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 123.37 0.418 . . . . 0.0 110.766 -177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -67.6 -34.79 77.71 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.713 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.688 ' HA ' ' OD2' ' A' ' 98' ' ' ASP . 2.9 ttmp? -81.53 -40.0 23.82 Favored 'General case' 0 C--O 1.2 -1.516 0 CA-C-O 122.034 0.921 . . . . 0.0 110.401 -175.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.529 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 2.3 m-90 -66.92 -21.5 65.99 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.214 1.007 . . . . 0.0 109.677 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . . . -76.01 -44.41 39.65 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 113.977 -1.465 . . . . 0.0 109.641 174.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.688 ' OD2' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -72.86 -36.95 67.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 123.51 0.506 . . . . 0.0 111.034 -177.146 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 13.3 mmmm -74.41 2.81 8.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.314 -177.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.85 -0.57 87.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.001 0.76 . . . . 0.0 115.001 173.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.76 113.4 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.139 0.971 . . . . 0.0 110.478 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -95.76 139.42 32.02 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -42.95 -44.18 4.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.23 1.412 . . . . 0.0 112.985 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -63.28 -41.73 99.02 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -82.25 -29.43 31.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.77 0.795 . . . . 0.0 109.069 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.09 -26.43 68.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.104 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.0 m -61.48 -31.26 71.23 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.252 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.419 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 21.3 t70 -80.98 -35.13 32.44 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.195 0.521 . . . . 0.0 110.184 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.95 -30.34 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.611 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.38 -42.34 20.61 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 14.5 tppt? 76.15 24.93 1.09 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.553 1.941 . . . . 0.0 110.519 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -136.94 166.92 22.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -148.9 -51.9 0.16 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 124.068 0.947 . . . . 0.0 110.052 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.7 t -147.38 80.14 1.51 Allowed 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.032 0.92 . . . . 0.0 111.034 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 115' ' ' ARG . 62.3 mtt180 -141.52 -24.02 0.72 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.38 177.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.533 ' H ' ' CG ' ' A' ' 119' ' ' ASP . . . 88.3 26.59 27.75 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.794 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.14 -63.92 1.1 Allowed 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.327 -1.101 . . . . 0.0 112.098 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.424 ' O ' HG12 ' A' ' 121' ' ' VAL . 56.1 m-85 -114.29 6.9 16.29 Favored 'General case' 0 CA--C 1.487 -1.456 0 CA-C-O 122.784 1.278 . . . . 0.0 107.827 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 116' ' ' GLY . 0.9 OUTLIER -60.76 -31.39 70.74 Favored 'General case' 0 C--N 1.269 -2.923 0 CA-C-N 113.483 -1.69 . . . . 0.0 110.079 -177.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -61.68 -46.67 88.72 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.361 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG11 ' HB1' ' A' ' 79' ' ' ALA . 12.8 p -78.25 -30.24 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.24 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -58.9 -46.9 86.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.455 0.702 . . . . 0.0 110.643 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.44 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.64 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.2 98.99 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -59.42 -23.95 63.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.907 0.483 . . . . 0.0 112.233 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 87.1 mtp -66.3 -22.76 66.3 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.753 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 73.6 p -81.18 -37.63 28.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -70.4 -34.5 72.61 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.274 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.561 ' HA ' ' O ' ' A' ' 132' ' ' VAL . 3.6 tpm_? -76.25 2.53 13.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.545 -168.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.33 -27.99 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.819 0.819 . . . . 0.0 108.899 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.49 -12.48 15.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.559 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 129' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' ' HG1' ' A' ' 65' ' ' THR . . . . . . . . 0 CA--C 1.495 -1.175 0 N-CA-C 108.496 -1.842 . . . . 0.0 108.496 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.0 94.04 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.117 1.878 . . . . 0.0 110.014 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.53 2.5 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 64' ' ' LEU . 2.5 pt? -93.55 175.9 6.57 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.682 ' HG1' ' N ' ' A' ' 61' ' ' GLY . 82.4 m -135.07 102.97 5.38 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.15 148.01 32.49 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.065 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.41 -26.89 15.68 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -140.9 124.12 16.56 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -161.32 144.22 12.47 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 72' ' ' LYS . 6.4 m 64.93 32.65 10.48 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 122.184 0.993 . . . . 0.0 110.744 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 75' ' ' VAL . 30.3 mt-10 -73.31 25.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.987 1.315 . . . . 0.0 111.727 -178.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' HG22 ' A' ' 75' ' ' VAL . 17.9 ptmt -62.94 -24.43 67.87 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.324 1.05 . . . . 0.0 112.812 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.14 68.41 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.25 0.548 . . . . 0.0 110.235 174.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -36.89 58.08 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.481 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.696 ' HB ' ' CH2' ' A' ' 96' ' ' TRP . 6.0 m -61.05 -36.28 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.82 -33.13 75.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 120.788 0.328 . . . . 0.0 110.722 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -25.34 64.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.6 mmt -83.63 -47.2 11.51 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.68 -43.13 76.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.123 -1.398 . . . . 0.0 111.674 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.657 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -59.9 -45.11 93.56 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.744 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.61 64.82 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.4 tt -76.33 -23.2 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 122.46 1.124 . . . . 0.0 109.615 175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 18.8 ttm -66.73 -30.56 70.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.368 171.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.64 -58.51 3.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.539 ' OD2' ' HG3' ' A' ' 88' ' ' LYS . 27.0 t70 -117.83 118.64 34.63 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-O 120.879 0.371 . . . . 0.0 111.476 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 65.7 Cg_endo -96.8 14.93 0.83 Allowed 'Trans proline' 0 N--CA 1.437 -1.8 0 C-N-CA 122.679 2.252 . . . . 0.0 112.181 177.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -90.55 -38.91 12.87 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 121.804 0.812 . . . . 0.0 109.09 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HG3' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -86.83 -3.57 59.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.29 176.143 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 86' ' ' PRO . . . -40.89 -43.02 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.836 1.654 . . . . 0.0 115.119 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.81 -55.54 4.42 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.594 1.158 . . . . 0.0 113.561 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 3.0 p30 -66.2 -25.65 67.03 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.07 -36.5 21.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -61.15 -46.67 89.57 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -23.34 60.15 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 7.3 tmtm? -83.26 -21.0 33.45 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.964 0.888 . . . . 0.0 109.422 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.696 ' CH2' ' HB ' ' A' ' 75' ' ' VAL . 15.0 t-105 -83.9 -35.47 24.06 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.23 86.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 108.941 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -52.94 -37.93 61.43 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 125.629 1.572 . . . . 0.0 110.863 172.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -78.96 -10.82 59.94 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.326 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.53 21.09 79.83 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 116.223 -0.444 . . . . 0.0 113.083 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.34 137.19 38.61 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.703 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.7 p -99.92 149.36 23.5 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.932 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.03 -33.22 62.47 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.837 0.855 . . . . 0.0 112.659 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.2 t -68.52 -28.41 66.97 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.836 0.351 . . . . 0.0 111.366 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.21 -21.1 29.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.964 0.412 . . . . 0.0 110.529 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -54.4 -37.02 64.57 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.731 0.813 . . . . 0.0 111.536 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.0 t -67.91 -24.95 65.27 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.774 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' A' ' 111' ' ' LYS . 27.3 t70 -83.39 -32.17 26.3 Favored 'General case' 0 C--O 1.245 0.832 0 O-C-N 121.771 -0.581 . . . . 0.0 110.284 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.449 ' HB3' HG21 ' A' ' 75' ' ' VAL . 24.0 m-85 -70.86 -48.83 51.75 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.057 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.66 -41.38 13.43 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.342 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 108' ' ' ASP . 74.6 mmtt 71.77 69.08 0.15 Allowed 'General case' 0 C--O 1.249 1.039 0 CA-C-O 122.297 1.046 . . . . 0.0 111.816 -174.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 p -170.98 158.52 5.72 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.695 -1.593 . . . . 0.0 107.522 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -144.74 -52.97 0.3 Allowed 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -75.89 32.16 0.11 Allowed 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.463 1.105 . . . . 0.0 111.537 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.532 ' HB3' ' OD1' ' A' ' 119' ' ' ASP . 18.8 mtp180 58.66 -147.25 0.5 Allowed 'General case' 0 C--O 1.252 1.217 0 C-N-CA 123.411 0.684 . . . . 0.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 82.4 -81.09 1.73 Allowed Glycine 0 C--O 1.217 -0.953 0 C-N-CA 121.344 -0.455 . . . . 0.0 113.112 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -56.83 -57.62 11.67 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.575 1.178 . . . . 0.0 110.931 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -115.14 28.18 8.88 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.351 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.532 ' OD1' ' HB3' ' A' ' 115' ' ' ARG . 23.7 t70 -35.83 -63.06 0.39 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.747 1.619 . . . . 0.0 113.986 -173.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.32 -39.67 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.5 p -84.03 -36.98 12.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -63.94 -52.53 59.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.997 0.427 . . . . 0.0 110.353 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -34.4 77.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.83 -46.02 94.14 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.503 -0.38 . . . . 0.0 112.289 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -70.56 -23.22 62.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.427 -0.455 . . . . 0.0 112.2 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.9 ttp -66.15 -41.9 89.79 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.755 ' HA ' ' OD2' ' A' ' 130' ' ' ASP . 60.9 m -64.23 -19.84 65.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -74.29 -24.04 59.19 Favored 'General case' 0 C--O 1.191 -1.98 0 C-N-CA 116.611 -2.036 . . . . 0.0 109.716 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -82.06 -6.79 59.43 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.346 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.755 ' OD2' ' HA ' ' A' ' 127' ' ' THR . 26.6 m-20 -83.44 -13.18 55.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.113 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -127.65 -30.85 2.51 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.408 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 49.4 t . . . . . 0 C--N 1.313 -1.015 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.316 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.76 125.72 10.2 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.343 2.029 . . . . 0.0 110.852 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.47 65.14 0.55 Allowed Glycine 0 C--N 1.306 -1.123 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -154.27 177.36 11.21 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.786 0.327 . . . . 0.0 110.606 -177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -143.27 154.82 44.19 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' OD1' ' HG3' ' A' ' 69' ' ' LYS . 20.2 t70 -77.58 71.72 4.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 122.956 1.36 . . . . 0.0 111.195 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -135.92 -53.13 0.75 Allowed 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -83.11 67.95 9.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HG3' ' OD1' ' A' ' 66' ' ' ASP . 13.0 mmmm -145.21 107.94 4.48 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.943 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -81.48 -5.46 57.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 75' ' ' VAL . 48.5 mt-10 -55.98 -43.22 77.38 Favored 'General case' 0 C--O 1.199 -1.572 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.501 -177.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.72 -36.98 70.32 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -23.3 61.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.236 0.541 . . . . 0.0 110.757 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.58 -36.83 20.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.791 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 71' ' ' GLU . 75.0 t -54.77 -42.54 62.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 C-N-CA 123.988 0.915 . . . . 0.0 111.312 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.78 -24.6 67.82 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 62.1 mttp -80.78 -32.12 35.53 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mmt -74.03 -31.06 62.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.379 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HA ' HG21 ' A' ' 121' ' ' VAL . . . -65.99 -41.65 90.8 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.487 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -65.09 -36.18 83.47 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HA ' ' OD1' ' A' ' 85' ' ' ASP . . . -66.89 -45.43 78.03 Favored 'General case' 0 C--O 1.171 -3.03 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.52 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.587 HD12 HG23 ' A' ' 121' ' ' VAL . 71.5 mt -65.38 -34.65 71.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.127 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.5 ttp -71.55 -30.1 65.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.635 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -103.07 -60.56 1.53 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.382 0.611 . . . . 0.0 111.104 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.481 ' OD1' ' HA ' ' A' ' 81' ' ' ALA . 1.3 m-20 -86.66 99.06 0.96 Allowed Pre-proline 0 C--N 1.288 -2.074 0 C-N-CA 125.73 1.612 . . . . 0.0 109.058 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 68.1 Cg_endo -76.34 -16.24 17.45 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 121.561 1.508 . . . . 0.0 113.22 -172.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 t -87.64 -12.1 46.53 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-O 120.773 0.321 . . . . 0.0 110.137 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 88' ' ' LYS . 9.0 tmtm? -89.19 -7.9 54.67 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.642 0.734 . . . . 0.0 110.069 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -60.46 -41.38 94.01 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -173.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -57.55 -52.94 63.35 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.331 0.653 . . . . 0.0 111.283 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.06 -50.42 15.2 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 125.243 1.417 . . . . 0.0 112.713 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' A' ' 82' ' ' ILE . 21.5 t -74.01 -29.58 25.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.433 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.7 -35.51 80.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.023 0.439 . . . . 0.0 110.497 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -33.98 31.99 Favored 'General case' 0 CA--C 1.475 -1.911 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.607 177.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.659 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 4.4 tmtt? -65.29 -31.29 72.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 101' ' ' TYR 0.258 42.6 m0 -77.52 -40.57 42.29 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.549 -1.26 . . . . 0.0 112.295 -178.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.61 78.2 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' OD2' ' HG2' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -46.64 -42.39 16.22 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 125.249 1.42 . . . . 0.0 113.223 174.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.535 ' HG2' ' OD2' ' A' ' 98' ' ' ASP . 46.5 mmtm -105.51 0.58 26.8 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.882 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.76 35.39 89.8 Favored Glycine 0 N--CA 1.433 -1.564 0 O-C-N 124.05 0.844 . . . . 0.0 112.898 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 99' ' ' LYS . 84.0 m-85 -55.53 113.36 1.41 Allowed 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 m -79.82 137.79 37.05 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.288 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.6 tp -68.07 79.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.667 0.746 . . . . 0.0 111.595 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t 174.45 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 126.868 2.067 . . . . 0.0 106.06 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -76.86 -33.28 57.88 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.2 tp -52.54 -29.07 23.43 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.429 -1.259 . . . . 0.0 111.091 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t -59.56 -35.68 74.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -84.2 -27.95 27.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.047 -1.061 . . . . 0.0 111.66 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.98 -41.85 99.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.899 0.38 . . . . 0.0 110.757 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.71 -23.65 29.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.742 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 74.62 36.36 0.61 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.239 1.416 . . . . 0.0 110.005 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 m -86.28 71.78 10.45 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.092 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -134.68 79.27 1.79 Allowed 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 116' ' ' GLY . 9.0 t 176.97 -156.75 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -174.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -38.08 72.46 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 118.65 0.659 . . . . 0.0 110.811 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.436 ' H ' HG23 ' A' ' 114' ' ' THR . . . 93.34 81.89 1.51 Allowed Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.996 174.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 14.2 tptp -80.35 -18.57 48.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.309 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -75.78 25.89 0.11 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 121.58 -0.7 . . . . 0.0 112.127 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -44.99 -64.34 0.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.859 1.664 . . . . 0.0 113.264 178.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.75 -39.96 78.59 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.587 HG23 HD12 ' A' ' 82' ' ' ILE . 3.3 p -78.26 -47.8 23.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.285 -0.566 . . . . 0.0 112.101 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.466 ' O ' ' HG3' ' A' ' 126' ' ' MET . 68.8 t80 -71.6 -55.23 8.17 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.657 -174.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.476 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 15.2 m120 -63.01 -32.22 73.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.004 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.95 -30.61 65.42 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.673 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -81.55 -23.18 37.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 122.663 -0.316 . . . . 0.0 111.261 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 87.9 mtp -50.79 -33.12 22.13 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.241 0.617 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -54.3 -22.06 10.94 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.777 1.631 . . . . 0.0 113.031 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -33.26 73.01 Favored 'General case' 0 C--O 1.193 -1.895 0 CA-C-O 121.231 0.539 . . . . 0.0 111.484 -176.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -60.83 -34.15 74.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 124.263 1.025 . . . . 0.0 113.053 -166.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.93 9.77 28.61 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.067 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -136.89 -37.41 0.66 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.472 1.109 . . . . 0.0 110.058 -177.246 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.117 0 N-CA-C 107.519 -2.233 . . . . 0.0 107.519 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.56 81.88 2.01 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 CA-C-N 119.649 1.724 . . . . 0.0 108.444 171.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 -176.45 37.31 Favored Glycine 0 C--O 1.273 2.539 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -174.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -163.04 147.01 11.1 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -85.52 -36.24 20.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.0 0.429 . . . . 0.0 111.008 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.678 ' OD2' ' HA ' ' A' ' 69' ' ' LYS . 47.8 t0 -137.79 152.23 48.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.81 70.77 9.86 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 56.62 33.61 23.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.85 0.86 . . . . 0.0 109.896 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.678 ' HA ' ' OD2' ' A' ' 66' ' ' ASP 0.285 3.8 mmmp? 76.29 102.15 0.07 Allowed 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 125.772 1.629 . . . . 0.0 113.572 -175.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -63.64 125.17 23.39 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.419 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.16 -50.86 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 103.078 -2.934 . . . . 0.0 103.078 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 75' ' ' VAL . 1.7 pttm -47.98 -27.04 2.0 Allowed 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 113.281 -1.781 . . . . 0.0 115.559 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.39 -32.33 48.76 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.566 -0.708 . . . . 0.0 111.31 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.94 -40.32 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.027 0.531 . . . . 0.0 111.178 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 109' ' ' PHE . 8.6 p -58.28 -27.72 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 121.413 0.625 . . . . 0.0 110.201 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 118' ' ' TYR . 53.3 mtmt -71.31 -17.86 62.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -38.68 88.64 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.0 mmm -78.68 -29.53 45.62 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.23 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -65.9 -44.65 84.63 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.002 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.4 -35.69 72.42 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 121.561 0.696 . . . . 0.0 110.294 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.94 -24.21 62.4 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.648 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 92' ' ' VAL . 72.5 mt -86.33 -42.22 15.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.791 -0.568 . . . . 0.0 109.635 173.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.629 ' SD ' ' HB2' ' A' ' 120' ' ' ARG . 10.0 tpt -51.59 -46.44 63.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.585 1.154 . . . . 0.0 111.679 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -102.36 -33.39 9.59 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -175.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 4.2 p-10 -131.74 70.3 81.15 Favored Pre-proline 0 C--O 1.253 1.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.047 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.17 11.7 1.16 Allowed 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 124.445 3.43 . . . . 0.0 115.415 -168.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -65.45 -27.13 68.29 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.287 0.565 . . . . 0.0 110.521 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 9.3 ptpp? -88.42 -7.36 56.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.811 -178.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.08 60.17 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -165.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.7 -56.56 17.93 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.48 -48.15 66.09 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.414 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.445 ' CG1' HD11 ' A' ' 82' ' ' ILE . 11.8 t -69.97 -33.11 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.607 -171.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -69.27 -50.99 41.9 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 121.277 0.56 . . . . 0.0 109.806 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -43.57 95.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.821 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 tmmm? -77.49 -17.51 57.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -82.33 -33.7 28.84 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.751 -0.593 . . . . 0.0 109.492 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.85 88.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.071 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.606 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.8 p-10 -80.96 -8.82 59.85 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.383 0.611 . . . . 0.0 109.937 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.681 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -83.81 -14.52 51.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.38 22.68 28.68 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.391 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -88.12 113.43 23.74 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.507 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.479 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 17.1 m -90.09 145.5 25.02 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 44.8 tp -42.72 -45.19 4.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.778 1.231 . . . . 0.0 112.56 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -67.02 -26.72 66.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.013 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -84.2 -34.78 23.86 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.13 -18.28 63.25 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.267 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.0 m -66.92 -25.63 66.46 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.699 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.76 -41.29 30.98 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.538 ' HB3' HG11 ' A' ' 75' ' ' VAL . 88.1 m-85 -65.95 -49.09 69.13 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.304 -178.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.25 22.64 0.98 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 123.444 0.698 . . . . 0.0 112.602 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -59.2 120.31 8.98 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.6 p -132.89 -153.63 0.56 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.135 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -119.94 -176.43 3.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m 73.31 -48.29 0.68 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.54 1.136 . . . . 0.0 111.847 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 162.91 -22.46 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.118 2.167 . . . . 0.0 108.331 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.02 105.66 0.24 Allowed Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -91.31 -19.83 22.53 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.043 -179.065 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CE2' ' HD2' ' A' ' 76' ' ' LYS . 94.5 m-85 -80.43 27.53 0.34 Allowed 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 124.507 1.123 . . . . 0.0 110.942 177.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -49.73 -42.2 45.59 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 124.352 1.061 . . . . 0.0 112.744 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.629 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.6 mmp_? -65.49 -48.77 71.47 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG11 ' HB1' ' A' ' 79' ' ' ALA . 7.1 p -70.72 -37.37 68.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.534 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.422 ' O ' ' HG3' ' A' ' 126' ' ' MET . 66.1 t80 -70.79 -54.68 10.75 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.906 0.384 . . . . 0.0 110.215 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.49 ' HA ' ' SD ' ' A' ' 126' ' ' MET . 2.8 t-20 -58.17 -37.5 74.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.591 0.756 . . . . 0.0 110.989 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -67.65 -45.01 79.71 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.636 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -59.18 -26.21 64.6 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.634 0.774 . . . . 0.0 110.999 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 123' ' ' ASN . 88.5 mtp -56.26 -22.77 31.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.914 0.886 . . . . 0.0 112.373 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.4 p -64.53 -25.66 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.1 OUTLIER -74.11 -13.87 60.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.126 0.489 . . . . 0.0 110.795 -177.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.543 ' HA ' ' OXT' ' A' ' 132' ' ' VAL . 32.2 ttt85 -79.94 13.59 2.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.532 1.158 . . . . 0.0 111.779 -173.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.0 -28.82 57.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 168.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -109.8 -36.09 6.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.238 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.543 ' OXT' ' HA ' ' A' ' 129' ' ' ARG . 7.0 p . . . . . 0 C--O 1.248 1.011 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.035 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.04 -57.95 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 123.182 2.588 . . . . 0.0 112.732 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.3 53.42 4.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.633 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.9 mt 63.72 -80.43 0.03 OUTLIER 'General case' 0 C--O 1.24 0.57 0 C-N-CA 125.303 1.441 . . . . 0.0 112.992 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.5 p -72.08 -72.08 0.25 Allowed 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.64 0.734 . . . . 0.0 111.918 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 67' ' ' LEU . 6.0 p-10 -106.05 -101.46 0.34 Allowed 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.316 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 50.8 tp -123.25 -46.57 2.05 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.0 p90 178.65 119.18 0.04 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 126.143 1.777 . . . . 0.0 108.479 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -45.64 120.14 2.47 Favored 'General case' 0 C--O 1.266 1.958 0 CA-C-O 122.25 1.024 . . . . 0.0 112.11 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.457 HG23 ' HG2' ' A' ' 72' ' ' LYS . 61.4 m -126.49 72.92 1.35 Allowed 'General case' 0 N--CA 1.42 -1.956 0 CA-C-O 122.622 1.201 . . . . 0.0 113.118 -174.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -89.33 -13.97 36.73 Favored 'General case' 0 C--O 1.205 -1.254 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HG2' HG23 ' A' ' 70' ' ' THR . 9.6 ptpp? -51.45 -35.49 39.83 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.515 1.126 . . . . 0.0 112.843 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.25 -20.78 20.8 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.091 0.472 . . . . 0.0 112.012 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.22 11.68 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.21 -30.62 35.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.76 0 C-N-CA 123.526 0.731 . . . . 0.0 112.698 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -66.99 -26.24 66.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.342 0.591 . . . . 0.0 111.728 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.35 -34.97 36.15 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.9 mtt -68.21 -37.27 80.7 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.306 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -54.49 -46.53 73.45 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 124.177 0.991 . . . . 0.0 111.585 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.669 ' HA ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -72.3 -28.54 63.16 Favored 'General case' 0 C--O 1.197 -1.681 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.596 178.109 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 85' ' ' ASP . . . -67.65 -23.25 65.31 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 121' ' ' VAL . 1.8 mp -86.5 -57.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.669 ' HG2' ' HA ' ' A' ' 80' ' ' LYS . 25.6 ptt? -67.04 -27.44 67.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -170.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.49 20.53 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.995 0.426 . . . . 0.0 110.682 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.663 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -136.94 67.5 56.7 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.99 -22.02 52.97 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 123.354 2.702 . . . . 0.0 115.536 -170.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 p -74.26 -27.15 60.62 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -87.79 -7.58 57.11 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.928 0.871 . . . . 0.0 110.859 -177.101 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HA ' HG13 ' A' ' 82' ' ' ILE . . . -60.13 -42.66 95.31 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -167.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.2 -41.11 90.62 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.328 0.513 . . . . 0.0 111.857 -173.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.23 -35.48 71.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.516 0.674 . . . . 0.0 110.282 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.52 -30.12 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.904 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.08 -44.69 96.13 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -22.94 61.43 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.487 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 95' ' ' LYS . 6.1 tmtm? -77.64 -34.15 53.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.438 ' HE3' ' CE1' ' A' ' 125' ' ' TYR . 36.4 m0 -73.65 -36.26 65.37 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.91 85.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -52.59 -31.97 38.93 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.429 0.692 . . . . 0.0 111.813 172.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HZ2' ' CG ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -102.47 3.27 37.45 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.535 -0.728 . . . . 0.0 111.506 -178.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.94 75.81 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.275 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -74.33 131.64 41.33 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.85 0.833 . . . . 0.0 111.996 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.548 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . 9.4 t -112.28 172.3 6.99 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.646 ' H ' HD22 ' A' ' 103' ' ' LEU . 1.6 mm? -53.99 -57.03 12.55 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.792 0.837 . . . . 0.0 111.284 -173.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 104' ' ' THR . 1.4 t -58.92 -31.0 68.24 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.03 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.87 -36.16 21.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.016 0.436 . . . . 0.0 110.877 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.18 -34.56 78.3 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -58.42 -35.24 71.77 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 16.2 t70 -77.46 -27.4 52.07 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.246 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -70.45 -20.63 62.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.119 0.485 . . . . 0.0 110.167 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.38 -50.14 6.51 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 108' ' ' ASP . 20.9 ttmm 49.35 70.34 0.49 Allowed 'General case' 0 C--O 1.257 1.477 0 C-N-CA 125.502 1.521 . . . . 0.0 111.833 176.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.5 m -91.68 152.91 20.01 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.544 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -122.02 150.7 41.73 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.9 m 75.79 -49.27 0.61 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.228 1.411 . . . . 0.0 111.005 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -169.95 164.3 9.56 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.28 132.49 52.09 Favored Glycine 0 N--CA 1.432 -1.595 0 O-C-N 123.867 0.729 . . . . 0.0 111.446 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -93.6 -21.91 19.12 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -115.67 26.38 10.07 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.975 -1.92 . . . . 0.0 108.109 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -54.2 -41.92 69.15 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.116 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.415 ' H ' ' HG3' ' A' ' 120' ' ' ARG . 51.8 mtt85 -49.98 -53.48 26.22 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.88 1.272 . . . . 0.0 111.241 176.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.457 HG11 ' HB1' ' A' ' 79' ' ' ALA . 8.1 p -71.97 -32.42 44.03 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.83 -49.3 68.7 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.7 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.56 -46.81 87.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.309 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.22 -29.47 75.37 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.71 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.498 ' O ' ' HD1' ' A' ' 128' ' ' TYR . 24.9 t80 -72.34 -31.54 65.73 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.641 -0.329 . . . . 0.0 110.354 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.512 ' HA ' HD11 ' A' ' 103' ' ' LEU . 87.9 mtp -54.3 -30.23 50.22 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.155 0.582 . . . . 0.0 112.311 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -63.38 -18.73 63.99 Favored 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 123.892 0.877 . . . . 0.0 111.76 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.548 ' OH ' ' HA ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -72.52 -12.87 61.26 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.849 -1.157 . . . . 0.0 110.838 -179.173 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 129' ' ' ARG . 4.7 mmm180 -64.46 -21.34 66.63 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.23 6.85 31.12 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.511 0.672 . . . . 0.0 110.129 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -105.39 -38.66 6.41 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.156 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 177.073 . . . . . . . . 0 0 . 1 stop_ save_